EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q92LTM682H
EPA CompTox	DTXSID60234844

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q92LTM682H

EPA CompTox

DTXSID60234844


InChI Key	NYSUFKYXLDNHQN-UHFFFAOYSA-N
Smiles	O=C(O)CCCN1CCCC1
InChI	InChI=1/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)

InChI Key

NYSUFKYXLDNHQN-UHFFFAOYSA-N

Smiles

O=C(O)CCCN1CCCC1

InChI

InChI=1/C8H15NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-7H2,(H,10,11)

Property Name	Value
Molecular Formula	C8H15NO2
Molecular Weight	157.11
AlogP	0.95
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	40.54
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H15NO2

Molecular Weight

157.11

AlogP

0.95

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

40.54

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	85614-44-4
NORMAN SUSDAT
FDA SRS	Q92LTM682H

Resources

Reference

CAS NUMBER

85614-44-4

NORMAN SUSDAT

FDA SRS

Q92LTM682H

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...

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Last update: Monday, 3 November 2025

PYRROLIDINE-1-BUTYRIC ACID

Structure

Physicochemical Descriptors

Cross References