3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid

C15H17N3O3 — CID 60839707

IUPAC3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESN#Cc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C15H17N3O3/c16-9-11-2-1-3-12(8-11)17-14(19)10-18(13-4-5-13)7-6-15(20)21/h1-3,8,13H,4-7,10H2,(H,17,19)(H,20,21)
InChIKeyKIQBZZPRRIYSND-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.44
Rot. Bonds7

About 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid

3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid (PubChem CID 60839707) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
PubChem CID60839707
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
SMILESN#Cc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1
InChIInChI=1S/C15H17N3O3/c16-9-11-2-1-3-12(8-11)17-14(19)10-18(13-4-5-13)7-6-15(20)21/h1-3,8,13H,4-7,10H2,(H,17,19)(H,20,21)
InChIKeyKIQBZZPRRIYSND-UHFFFAOYSA-N
XLogP1.44
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]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-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
N-(3-cyanophenyl)-2-[methyl-(3-methylsulfanylcyclopentyl)amino]acetamide
CID 71986559
N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
CID 99107009
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 109003480
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
3-[(3-cyanophenyl)carbamoyl-methylamino]propanoic acid
CID 60990103
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid (CID 60839707) is 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid is N#Cc1cccc(NC(=O)CN(CCC(=O)O)C2CC2)c1.
What is the InChIKey of 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
The InChIKey is KIQBZZPRRIYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-9-11-2-1-3-12(8-11)17-14(19)10-18(13-4-5-13)7-6-15(20)21/h1-3,8,13H,4-7,10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid?
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60839707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).