EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	27502G8UZX
EPA CompTox	DTXSID1040324

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

27502G8UZX

EPA CompTox

DTXSID1040324


InChI Key	GYKXQTKSWLAUIT-UHFFFAOYSA-N
Smiles	CNC(=O)Oc1cccc(c1)C(C)C
InChI	InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

InChI Key

GYKXQTKSWLAUIT-UHFFFAOYSA-N

Smiles

CNC(=O)Oc1cccc(c1)C(C)C

InChI

InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Property Name	Value
Molecular Formula	C11H15N1O2
Molecular Weight	193.11
AlogP	2.73
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	41.82
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H15N1O2

Molecular Weight

193.11

AlogP

2.73

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

41.82

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	64-00-6
NORMAN SUSDAT
FDA SRS	27502G8UZX
PubChem	6143
ChemSpider	5913.0

Resources

Reference

CAS NUMBER

64-00-6

NORMAN SUSDAT

FDA SRS

27502G8UZX

PubChem

6143

ChemSpider

5913.0

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

M-CUMENYL METHYLCARBAMATE

Structure

Physicochemical Descriptors

Cross References