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

C13H18N2O — CID 130520932

IUPAC(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O/c14-12(8-10-6-7-10)13(16)15-9-11-4-2-1-3-5-11/h1-5,10,12H,6-9,14H2,(H,15,16)/t12-/m0/s1
InChIKeyVEBJGJRFCYAIBF-LBPRGKRZSA-N
MW218.30 g/mol
LogP1.43
Rot. Bonds5

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

(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide (PubChem CID 130520932) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
PubChem CID130520932
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O/c14-12(8-10-6-7-10)13(16)15-9-11-4-2-1-3-5-11/h1-5,10,12H,6-9,14H2,(H,15,16)/t12-/m0/s1
InChIKeyVEBJGJRFCYAIBF-LBPRGKRZSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-benzyl-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

N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate
CID 175604906
(2R)-2,5-diamino-6-(benzylamino)-6-oxohexanoic acid
CID 91436913
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-benzylpentanamide
CID 11020044
4-amino-5-(benzylamino)-5-oxopentanoic acid
CID 64895002
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
2-amino-3-cyclopropyl-1-phenylpropan-1-one
CID 82404437
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide (CID 130520932) is (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide is N[C@@H](CC1CC1)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide?
The InChIKey is VEBJGJRFCYAIBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(8-10-6-7-10)13(16)15-9-11-4-2-1-3-5-11/h1-5,10,12H,6-9,14H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide?
(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-3-cyclopropylpropanamide is sourced from PubChem (CID 130520932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).