2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide

C12H17N3O2 — CID 119306654

IUPAC2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
SMILESC[C@@H](N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(13)12(17)15-10(11(14)16)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10?/m1/s1
InChIKeyXYRNVSZCHSXALY-HNHGDDPOSA-N
MW235.29 g/mol
LogP-0.45
Rot. Bonds5

About 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide

2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide (PubChem CID 119306654) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
PubChem CID119306654
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
SMILESC[C@@H](N)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-8(13)12(17)15-10(11(14)16)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10?/m1/s1
InChIKeyXYRNVSZCHSXALY-HNHGDDPOSA-N
XLogP-0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-2-aminopropanoyl]amino]-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

Related Compounds

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanamide
CID 11739138
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 10168344
(2S)-2-[[[(2S)-2-aminopropanoyl]amino]carbamoylamino]-3-phenylpropanamide
CID 58917827
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide?
The IUPAC name of 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide (CID 119306654) is 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide is C[C@@H](N)C(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide?
The InChIKey is XYRNVSZCHSXALY-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(13)12(17)15-10(11(14)16)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H2,14,16)(H,15,17)/t8-,10?/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide?
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 119306654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).