2-[3-(aminomethyl)anilino]propanoic acid

C10H14N2O2 — CID 174745837

IUPAC2-[3-(aminomethyl)anilino]propanoic acid
SMILESCC(Nc1cccc(CN)c1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-4-2-3-8(5-9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyDBQQVEXYBUOEJS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[3-(aminomethyl)anilino]propanoic acid

2-[3-(aminomethyl)anilino]propanoic acid (PubChem CID 174745837) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[3-(aminomethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)anilino]propanoic acid
PubChem CID174745837
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[3-(aminomethyl)anilino]propanoic acid
SMILESCC(Nc1cccc(CN)c1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-4-2-3-8(5-9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyDBQQVEXYBUOEJS-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)anilino]propanoic 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

2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
2-(3-aminoanilino)propanoic acid
CID 23338715
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-(3-ethoxycarbonylanilino)propanoic acid
CID 66172089
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)anilino]propanoic acid?
The IUPAC name of 2-[3-(aminomethyl)anilino]propanoic acid (CID 174745837) is 2-[3-(aminomethyl)anilino]propanoic acid.
What is the SMILES notation for 2-[3-(aminomethyl)anilino]propanoic acid?
The canonical SMILES for 2-[3-(aminomethyl)anilino]propanoic acid is CC(Nc1cccc(CN)c1)C(=O)O.
What is the InChIKey of 2-[3-(aminomethyl)anilino]propanoic acid?
The InChIKey is DBQQVEXYBUOEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-4-2-3-8(5-9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-[3-(aminomethyl)anilino]propanoic acid?
2-[3-(aminomethyl)anilino]propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)anilino]propanoic acid is sourced from PubChem (CID 174745837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).