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

C10H14N2O2 — CID 67615589

IUPAC2-[2-(aminomethyl)anilino]propanoic acid
SMILESCC(Nc1ccccc1CN)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-5-3-2-4-8(9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyXSQXTVKWMLASTH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds4

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

2-[2-(aminomethyl)anilino]propanoic acid (PubChem CID 67615589) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[2-(aminomethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)anilino]propanoic acid
PubChem CID67615589
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[2-(aminomethyl)anilino]propanoic acid
SMILESCC(Nc1ccccc1CN)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-5-3-2-4-8(9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14)
InChIKeyXSQXTVKWMLASTH-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

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Related Compounds

2-(2-prop-2-enylanilino)propanoic acid
CID 12657922
2-(2-aminoanilino)propanoic acid
CID 67237083
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
2-aminoacetic acid;(2S)-2-(2-butan-2-ylanilino)propanoic acid
CID 22814511
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)anilino]propanoic acid?
The IUPAC name of 2-[2-(aminomethyl)anilino]propanoic acid (CID 67615589) is 2-[2-(aminomethyl)anilino]propanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)anilino]propanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)anilino]propanoic acid is CC(Nc1ccccc1CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)anilino]propanoic acid?
The InChIKey is XSQXTVKWMLASTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(10(13)14)12-9-5-3-2-4-8(9)6-11/h2-5,7,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-[2-(aminomethyl)anilino]propanoic acid?
2-[2-(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-[2-(aminomethyl)anilino]propanoic acid is sourced from PubChem (CID 67615589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).