(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid

C20H23N3O3 — CID 2012635

IUPAC(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(25)18(15-16-7-3-1-4-8-16)21-20(26)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,26)(H,24,25)/t18-/m0/s1
InChIKeyQSJHAVFQLIYHCA-SFHVURJKSA-N
MW353.42 g/mol
LogP2.21
Rot. Bonds5

About (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid

(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 2012635) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID2012635
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-19(25)18(15-16-7-3-1-4-8-16)21-20(26)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,26)(H,24,25)/t18-/m0/s1
InChIKeyQSJHAVFQLIYHCA-SFHVURJKSA-N
XLogP2.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid (CID 2012635) is (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid is O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is QSJHAVFQLIYHCA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(25)18(15-16-7-3-1-4-8-16)21-20(26)23-13-11-22(12-14-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,21,26)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid?
(2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 353.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 2012635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).