EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VFT42CH8U4
EPA CompTox	DTXSID40349203

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VFT42CH8U4

EPA CompTox

DTXSID40349203


InChI Key	PWQLFIKTGRINFF-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(O)CC1
InChI	InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3

InChI Key

PWQLFIKTGRINFF-UHFFFAOYSA-N

Smiles

CC(C)(C)OC(=O)N1CCC(O)CC1

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3

Property Name	Value
Molecular Formula	C10H19N1O3
Molecular Weight	201.14
AlogP	1.38
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	49.77
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H19N1O3

Molecular Weight

201.14

AlogP

1.38

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

49.77

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	109384-19-2
NORMAN SUSDAT
FDA SRS	VFT42CH8U4
PubChem	643502
ChemSpider	558645.0

Resources

Reference

CAS NUMBER

109384-19-2

NORMAN SUSDAT

FDA SRS

VFT42CH8U4

PubChem

643502

ChemSpider

558645.0

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-BOC-4-HYDROXYPIPERIDINE

Structure

Physicochemical Descriptors

Cross References