EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T872MM2E20
EPA CompTox	DTXSID401020087

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T872MM2E20

EPA CompTox

DTXSID401020087


InChI Key	QXOHLNCNYLGICT-YFKPBYRVSA-N
Smiles	O=C(O)CNC(=O)C(N)CCSC
InChI	InChI=1/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)

InChI Key

QXOHLNCNYLGICT-YFKPBYRVSA-N

Smiles

O=C(O)CNC(=O)C(N)CCSC

InChI

InChI=1/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)

Property Name	Value
Molecular Formula	C7H14N2O3S
Molecular Weight	206.07
AlogP	0.11
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	95.91
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H14N2O3S

Molecular Weight

206.07

AlogP

0.11

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

95.91

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	14486-03-4
NORMAN SUSDAT
FDA SRS	T872MM2E20

Resources

Reference

CAS NUMBER

14486-03-4

NORMAN SUSDAT

FDA SRS

T872MM2E20

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-L-METHIONYLGLYCINE

Structure

Physicochemical Descriptors

Cross References