(2S)-2-amino-N-methyl-3-phenylpropanamide

C10H14N2O — CID 10176363

IUPAC(2S)-2-amino-N-methyl-3-phenylpropanamide
SMILESCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBVRKOQJETMBIDK-VIFPVBQESA-N
MW178.24 g/mol
LogP0.30
Rot. Bonds3

About (2S)-2-amino-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-methyl-3-phenylpropanamide (PubChem CID 10176363) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-3-phenylpropanamide
PubChem CID10176363
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2S)-2-amino-N-methyl-3-phenylpropanamide
SMILESCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBVRKOQJETMBIDK-VIFPVBQESA-N
XLogP0.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-methyl-3-phenylpropanamide (CID 10176363) is (2S)-2-amino-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-3-phenylpropanamide is CNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-methyl-3-phenylpropanamide?
The InChIKey is BVRKOQJETMBIDK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-methyl-3-phenylpropanamide has a molecular weight of 178.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 10176363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).