EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K6106LV5Q8
EPA CompTox	DTXSID50171996

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K6106LV5Q8

EPA CompTox

DTXSID50171996


InChI Key	NENPYTRHICXVCS-YNEHKIRRSA-N
Smiles	CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
InChI	InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1

InChI Key

NENPYTRHICXVCS-YNEHKIRRSA-N

Smiles

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1

Property Name	Value
Molecular Formula	C14H24N2O4
Molecular Weight	284.17
AlogP	1.65
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	105.14
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H24N2O4

Molecular Weight

284.17

AlogP

1.65

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

105.14

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	187227-45-8
NORMAN SUSDAT
FDA SRS	K6106LV5Q8
PubChem	44310478
ChemSpider	395929.0

Resources

Reference

CAS NUMBER

187227-45-8

NORMAN SUSDAT

FDA SRS

K6106LV5Q8

PubChem

44310478

ChemSpider

395929.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

OSELTAMIVIR ACID

Structure

Physicochemical Descriptors

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