2-amino-3-(3-methyl-2-pyridinyl)propanoic acid

C9H12N2O2 — CID 3379209

IUPAC2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10)9(12)13/h2-4,7H,5,10H2,1H3,(H,12,13)
InChIKeyOHRRKEYAYSAHJG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.34
Rot. Bonds3

About 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid

2-amino-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 3379209) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID3379209
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10)9(12)13/h2-4,7H,5,10H2,1H3,(H,12,13)
InChIKeyOHRRKEYAYSAHJG-UHFFFAOYSA-N
XLogP0.34
TPSA76.21 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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
CID 88580721
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650926
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylacetamide
CID 63306151
(2S)-2-amino-3-methyl-3-[(3-methyl-2-pyridinyl)methylsulfanyl]butanoic acid
CID 106443701
2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid (CID 3379209) is 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is OHRRKEYAYSAHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-2-4-11-8(6)5-7(10)9(12)13/h2-4,7H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid?
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 3379209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).