2-(3-aminoanilino)propanoic acid

C9H12N2O2 — CID 23338715

IUPAC2-(3-aminoanilino)propanoic acid
SMILESCC(Nc1cccc(N)c1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(9(12)13)11-8-4-2-3-7(10)5-8/h2-6,11H,10H2,1H3,(H,12,13)
InChIKeyVTVHBOVXZPVTNI-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.15
Rot. Bonds3

About 2-(3-aminoanilino)propanoic acid

2-(3-aminoanilino)propanoic acid (PubChem CID 23338715) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-aminoanilino)propanoic acid.

Molecular Properties

Compound Name2-(3-aminoanilino)propanoic acid
PubChem CID23338715
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(3-aminoanilino)propanoic acid
SMILESCC(Nc1cccc(N)c1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(9(12)13)11-8-4-2-3-7(10)5-8/h2-6,11H,10H2,1H3,(H,12,13)
InChIKeyVTVHBOVXZPVTNI-UHFFFAOYSA-N
XLogP1.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-[3-(aminomethyl)anilino]propanoic acid
CID 174745837
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-(3-benzoylanilino)propanoic acid;hydrate
CID 23341865
2-(3-ethoxycarbonylanilino)propanoic acid
CID 66172089
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
(2R)-2-(3,4-dihydroxyanilino)propanoic acid
CID 69224592
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoanilino)propanoic acid?
The IUPAC name of 2-(3-aminoanilino)propanoic acid (CID 23338715) is 2-(3-aminoanilino)propanoic acid.
What is the SMILES notation for 2-(3-aminoanilino)propanoic acid?
The canonical SMILES for 2-(3-aminoanilino)propanoic acid is CC(Nc1cccc(N)c1)C(=O)O.
What is the InChIKey of 2-(3-aminoanilino)propanoic acid?
The InChIKey is VTVHBOVXZPVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(9(12)13)11-8-4-2-3-7(10)5-8/h2-6,11H,10H2,1H3,(H,12,13).
What are the key properties of 2-(3-aminoanilino)propanoic acid?
2-(3-aminoanilino)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoanilino)propanoic acid is sourced from PubChem (CID 23338715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).