2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid

C13H18N2O3 — CID 114289646

IUPAC2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-2-9-15(10-13(17)18)12(16)7-6-11-5-3-4-8-14-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKMBQZJOAKBXLMW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.34
Rot. Bonds7

About 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid

2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid (PubChem CID 114289646) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
PubChem CID114289646
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-2-9-15(10-13(17)18)12(16)7-6-11-5-3-4-8-14-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyKMBQZJOAKBXLMW-UHFFFAOYSA-N
XLogP1.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic 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

4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102
2-[3-(4-ethylsulfonylphenyl)propanoyl-propylamino]acetic acid
CID 120519625
2-[(2-amino-2-oxoethyl)-[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]acetic acid
CID 107437801
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
CID 113340650

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid (CID 114289646) is 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)CCc1ccccn1.
What is the InChIKey of 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid?
The InChIKey is KMBQZJOAKBXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-9-15(10-13(17)18)12(16)7-6-11-5-3-4-8-14-11/h3-5,8H,2,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid?
2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(3-pyridin-2-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 114289646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).