2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid

C11H11N3O3 — CID 107799973

IUPAC2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)O)c1C#N
InChIInChI=1S/C11H11N3O3/c1-7-3-2-4-9(8(7)5-12)14-11(17)13-6-10(15)16/h2-4H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyMXEMIRKXBMNGAZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.07
Rot. Bonds3

About 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid

2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid (PubChem CID 107799973) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
PubChem CID107799973
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)O)c1C#N
InChIInChI=1S/C11H11N3O3/c1-7-3-2-4-9(8(7)5-12)14-11(17)13-6-10(15)16/h2-4H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyMXEMIRKXBMNGAZ-UHFFFAOYSA-N
XLogP1.07
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
4-[(2-cyano-3-methylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 107799923
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
3-[(2-cyano-3-methylphenyl)carbamoylamino]hexanoic acid
CID 107799956
2-[(2-cyano-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 114002681
2-[(2-cyano-3-methylphenyl)carbamoylamino]pentanoic acid
CID 107799883
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-cyano-3-methylphenyl)-2-methylpentanamide
CID 113241611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid (CID 107799973) is 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid is Cc1cccc(NC(=O)NCC(=O)O)c1C#N.
What is the InChIKey of 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid?
The InChIKey is MXEMIRKXBMNGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-3-2-4-9(8(7)5-12)14-11(17)13-6-10(15)16/h2-4H,6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid?
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid has a molecular weight of 233.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 107799973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).