2-methyl-3-(pyridine-3-carbonylamino)propanoic acid

C10H12N2O3 — CID 53211442

IUPAC2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(10(14)15)5-12-9(13)8-3-2-4-11-6-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyAGKLZWFVYRJWMO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds4

About 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid

2-methyl-3-(pyridine-3-carbonylamino)propanoic acid (PubChem CID 53211442) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
PubChem CID53211442
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
SMILESCC(CNC(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(10(14)15)5-12-9(13)8-3-2-4-11-6-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyAGKLZWFVYRJWMO-UHFFFAOYSA-N
XLogP0.53
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid (CID 53211442) is 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid is CC(CNC(=O)c1cccnc1)C(=O)O.
What is the InChIKey of 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid?
The InChIKey is AGKLZWFVYRJWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(10(14)15)5-12-9(13)8-3-2-4-11-6-8/h2-4,6-7H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid?
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridine-3-carbonylamino)propanoic acid is sourced from PubChem (CID 53211442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).