2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid

C13H16N2O3 — CID 119202765

IUPAC2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cn1
InChIInChI=1S/C13H16N2O3/c1-8-3-4-10(7-14-8)12(16)15(11-5-6-11)9(2)13(17)18/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyUQJCVIPKRIXHKW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds4

About 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid

2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119202765) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID119202765
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cn1
InChIInChI=1S/C13H16N2O3/c1-8-3-4-10(7-14-8)12(16)15(11-5-6-11)9(2)13(17)18/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyUQJCVIPKRIXHKW-UHFFFAOYSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119203001
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
CID 120519325
2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid
CID 120519187
2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119202685
2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
CID 122067493
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
N-cyclopropyl-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 71874595
N-cyclopropyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 60555580
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129619
2-[cyclopropyl-(3-hydroxy-4-nitrobenzoyl)amino]propanoic acid
CID 122067377

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid (CID 119202765) is 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid is Cc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cn1.
What is the InChIKey of 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is UQJCVIPKRIXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-3-4-10(7-14-8)12(16)15(11-5-6-11)9(2)13(17)18/h3-4,7,9,11H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119202765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).