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

C13H17N3O3 — CID 60829186

IUPAC3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCNC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1
InChIInChI=1S/C13H17N3O3/c1-14-13(19)11-8-10(4-6-15-11)16(9-2-3-9)7-5-12(17)18/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyJBMHOASSCFEFEZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.88
Rot. Bonds6

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

3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid (PubChem CID 60829186) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
PubChem CID60829186
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCNC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1
InChIInChI=1S/C13H17N3O3/c1-14-13(19)11-8-10(4-6-15-11)16(9-2-3-9)7-5-12(17)18/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyJBMHOASSCFEFEZ-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-carbamoyl-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 54925465
3-[(2-cyano-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 62924637
4-[cyclopropyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 61452485
4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 61233390
4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517815
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[cyclopropyl(propyl)amino]pyridine-2-carbothioamide
CID 62925199
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid (CID 60829186) is 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid is CNC(=O)c1cc(N(CCC(=O)O)C2CC2)ccn1.
What is the InChIKey of 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The InChIKey is JBMHOASSCFEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-13(19)11-8-10(4-6-15-11)16(9-2-3-9)7-5-12(17)18/h4,6,8-9H,2-3,5,7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid has a molecular weight of 263.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 60829186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).