(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide

C13H15N3O — CID 112735200

IUPAC(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1ccccc1NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C13H15N3O/c14-8-10-3-1-2-4-12(10)16-13(17)11(15)7-9-5-6-9/h1-4,9,11H,5-7,15H2,(H,16,17)/t11-/m0/s1
InChIKeyXTOKTXWGNFTFRN-NSHDSACASA-N
MW229.28 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide

(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide (PubChem CID 112735200) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
PubChem CID112735200
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1ccccc1NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C13H15N3O/c14-8-10-3-1-2-4-12(10)16-13(17)11(15)7-9-5-6-9/h1-4,9,11H,5-7,15H2,(H,16,17)/t11-/m0/s1
InChIKeyXTOKTXWGNFTFRN-NSHDSACASA-N
XLogP1.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide 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

(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075
N-(2-cyanophenyl)-2-[cyclopropyl(cyclopropylmethyl)amino]propanamide
CID 64522146
N-(2-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689300
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
N-(2-cyanophenyl)-2-cyclobutyloxypropanamide
CID 55041309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide (CID 112735200) is (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide is N#Cc1ccccc1NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide?
The InChIKey is XTOKTXWGNFTFRN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-10-3-1-2-4-12(10)16-13(17)11(15)7-9-5-6-9/h1-4,9,11H,5-7,15H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide?
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide has a molecular weight of 229.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 112735200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).