2-[(4-methyl-3-pyridinyl)amino]propanoic acid

C9H12N2O2 — CID 66173557

IUPAC2-[(4-methyl-3-pyridinyl)amino]propanoic acid
SMILESCc1ccncc1NC(C)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-10-5-8(6)11-7(2)9(12)13/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyJAHJDCBFCRGKFY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.28
Rot. Bonds3

About 2-[(4-methyl-3-pyridinyl)amino]propanoic acid

2-[(4-methyl-3-pyridinyl)amino]propanoic acid (PubChem CID 66173557) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)amino]propanoic acid
PubChem CID66173557
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[(4-methyl-3-pyridinyl)amino]propanoic acid
SMILESCc1ccncc1NC(C)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-10-5-8(6)11-7(2)9(12)13/h3-5,7,11H,1-2H3,(H,12,13)
InChIKeyJAHJDCBFCRGKFY-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
(2S)-2-[[4-(4-chlorophenyl)-3-pyridinyl]amino]propanoic acid
CID 159846042
2-methyl-3-[(4-methyl-3-pyridinyl)amino]butan-2-ol
CID 65337688
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
4-methyl-N-pentan-3-ylpyridin-3-amine
CID 63329847
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
CID 81008054

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)amino]propanoic acid (CID 66173557) is 2-[(4-methyl-3-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)amino]propanoic acid is Cc1ccncc1NC(C)C(=O)O.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)amino]propanoic acid?
The InChIKey is JAHJDCBFCRGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-4-10-5-8(6)11-7(2)9(12)13/h3-5,7,11H,1-2H3,(H,12,13).
What are the key properties of 2-[(4-methyl-3-pyridinyl)amino]propanoic acid?
2-[(4-methyl-3-pyridinyl)amino]propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 66173557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).