2-(2-amino-3-chloroanilino)acetic acid

C8H9ClN2O2 — CID 104834433

IUPAC2-(2-amino-3-chloroanilino)acetic acid
SMILESNc1c(Cl)cccc1NCC(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-5-2-1-3-6(8(5)10)11-4-7(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeyGQIMNWOVDOTDMU-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-amino-3-chloroanilino)acetic acid

2-(2-amino-3-chloroanilino)acetic acid (PubChem CID 104834433) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(2-amino-3-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3-chloroanilino)acetic acid
PubChem CID104834433
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-(2-amino-3-chloroanilino)acetic acid
SMILESNc1c(Cl)cccc1NCC(=O)O
InChIInChI=1S/C8H9ClN2O2/c9-5-2-1-3-6(8(5)10)11-4-7(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeyGQIMNWOVDOTDMU-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-3-chloroanilino)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

5-(2-amino-3-chloroanilino)pentanamide
CID 106234126
1-(2-amino-3-chloroanilino)-2-methylpropan-2-ol
CID 104834636
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
[3-[(2-amino-3-chloroanilino)methyl]phenyl]methanol
CID 107231829
1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-chloroanilino)acetic acid?
The IUPAC name of 2-(2-amino-3-chloroanilino)acetic acid (CID 104834433) is 2-(2-amino-3-chloroanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-3-chloroanilino)acetic acid?
The canonical SMILES for 2-(2-amino-3-chloroanilino)acetic acid is Nc1c(Cl)cccc1NCC(=O)O.
What is the InChIKey of 2-(2-amino-3-chloroanilino)acetic acid?
The InChIKey is GQIMNWOVDOTDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-5-2-1-3-6(8(5)10)11-4-7(12)13/h1-3,11H,4,10H2,(H,12,13).
What are the key properties of 2-(2-amino-3-chloroanilino)acetic acid?
2-(2-amino-3-chloroanilino)acetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-chloroanilino)acetic acid is sourced from PubChem (CID 104834433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).