(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid

C16H17N3O3 — CID 130323270

IUPAC(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17N3O3/c17-14(15(20)21)10-11-6-8-13(9-7-11)19-16(22)18-12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1
InChIKeyZMMVVAJSVJKCII-AWEZNQCLSA-N
MW299.33 g/mol
LogP2.29
Rot. Bonds5

About (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid

(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid (PubChem CID 130323270) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
PubChem CID130323270
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H17N3O3/c17-14(15(20)21)10-11-6-8-13(9-7-11)19-16(22)18-12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1
InChIKeyZMMVVAJSVJKCII-AWEZNQCLSA-N
XLogP2.29
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]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

Related Compounds

(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
(2S)-2-amino-3-[4-(hydroxycarbamoylamino)phenyl]propanoic acid
CID 87167092
(2R,4R)-2-amino-4-[[4-(phenylcarbamoylamino)phenyl]methyl]pentanedioic acid
CID 122404981
(2S)-2-amino-3-[4-(methylcarbamoylamino)phenyl]propanoic acid
CID 66819935
2-amino-3-[4-[[3-(diaminomethylideneamino)phenyl]carbamoylamino]phenyl]propanoic acid
CID 20666953
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid (CID 130323270) is (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid is N[C@@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is ZMMVVAJSVJKCII-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-14(15(20)21)10-11-6-8-13(9-7-11)19-16(22)18-12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(phenylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 130323270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).