3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid

C13H16N2O3 — CID 54926408

IUPAC3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cc1ccccn1)C1CC1
InChIInChI=1S/C13H16N2O3/c16-12(9-10-3-1-2-7-14-10)15(11-4-5-11)8-6-13(17)18/h1-3,7,11H,4-6,8-9H2,(H,17,18)
InChIKeyKTLFBLMUZOCJSJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds6

About 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid

3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid (PubChem CID 54926408) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
PubChem CID54926408
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cc1ccccn1)C1CC1
InChIInChI=1S/C13H16N2O3/c16-12(9-10-3-1-2-7-14-10)15(11-4-5-11)8-6-13(17)18/h1-3,7,11H,4-6,8-9H2,(H,17,18)
InChIKeyKTLFBLMUZOCJSJ-UHFFFAOYSA-N
XLogP1.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl-(2-pyridin-2-ylacetyl)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

N-cyclohexyl-N-(2-hydroxyethyl)-2-pyridin-2-ylacetamide
CID 54994483
N-(azetidin-3-yl)-N-propyl-2-pyridin-2-ylacetamide
CID 66182452
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-cyclopropylamino]propanoic acid
CID 62797687
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
CID 131857449
CID 131857449
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
N-cyclopropyl-3-(cyclopropylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 54869688
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198
3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
CID 61161827
4-[cyclopropyl(pyridin-2-ylmethyl)sulfamoyl]butanoic acid
CID 60950649
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid (CID 54926408) is 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid is O=C(O)CCN(C(=O)Cc1ccccn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid?
The InChIKey is KTLFBLMUZOCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(9-10-3-1-2-7-14-10)15(11-4-5-11)8-6-13(17)18/h1-3,7,11H,4-6,8-9H2,(H,17,18).
What are the key properties of 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid?
3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-pyridin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 54926408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).