3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid

C12H14N2O4 — CID 112734988

IUPAC3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ncccc1O
InChIInChI=1S/C12H14N2O4/c15-9-2-1-5-13-10(9)11(16)14-8(12(17)18)6-7-3-4-7/h1-2,5,7-8,15H,3-4,6H2,(H,14,16)(H,17,18)
InChIKeyKROQHIYGKPJNOM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.77
Rot. Bonds5

About 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 112734988) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID112734988
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ncccc1O
InChIInChI=1S/C12H14N2O4/c15-9-2-1-5-13-10(9)11(16)14-8(12(17)18)6-7-3-4-7/h1-2,5,7-8,15H,3-4,6H2,(H,14,16)(H,17,18)
InChIKeyKROQHIYGKPJNOM-UHFFFAOYSA-N
XLogP0.77
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303459
2-cyclohexyl-2-[(3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 61013926
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-cyclopropyl-2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 113354364
(2R)-2-[(3-hydroxypyridine-2-carbonyl)amino]-3-(naphthalen-2-ylmethylsulfanyl)propanoic acid
CID 70689994
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid (CID 112734988) is 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid is O=C(NC(CC1CC1)C(=O)O)c1ncccc1O.
What is the InChIKey of 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is KROQHIYGKPJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-9-2-1-5-13-10(9)11(16)14-8(12(17)18)6-7-3-4-7/h1-2,5,7-8,15H,3-4,6H2,(H,14,16)(H,17,18).
What are the key properties of 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 112734988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).