EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MT62245356
EPA CompTox	DTXSID7074820

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MT62245356

EPA CompTox

DTXSID7074820


InChI Key	AVBJHQDHVYGQLS-AWEZNQCLSA-N
Smiles	CCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI	InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1

InChI Key

AVBJHQDHVYGQLS-AWEZNQCLSA-N

Smiles

CCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1

Property Name	Value
Molecular Formula	C17H31N1O5
Molecular Weight	329.22
AlogP	4.18
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	15.0
Polar Surface Area	107.19
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C17H31N1O5

Molecular Weight

329.22

AlogP

4.18

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

15.0

Polar Surface Area

107.19

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	3397-65-7
NORMAN SUSDAT
FDA SRS	MT62245356
PubChem	93133
ChemSpider	84079.0

Resources

Reference

CAS NUMBER

3397-65-7

NORMAN SUSDAT

FDA SRS

MT62245356

PubChem

93133

ChemSpider

84079.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N-LAUROYL-L-GLUTAMIC ACID

Structure

Physicochemical Descriptors

Cross References