2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid

C33H35N3O6 — CID 66615741

IUPAC2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
SMILESNC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O4.C15H15NO2/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14;16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24);1-9,14H,10,16H2,(H,17,18)/t15-,16-;/m0./s1
InChIKeyJGLWNNYGDMCHGJ-MOGJOVFKSA-N
MW569.66 g/mol
LogP3.78
Rot. Bonds13

About 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid

2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid (PubChem CID 66615741) has the molecular formula C33H35N3O6 and a molecular weight of 569.66 g/mol. Its IUPAC name is 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
PubChem CID66615741
Molecular FormulaC33H35N3O6
Molecular Weight569.66 g/mol
Exact Mass569.25
IUPAC Name2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
SMILESNC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H20N2O4.C15H15NO2/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14;16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24);1-9,14H,10,16H2,(H,17,18)/t15-,16-;/m0./s1
InChIKeyJGLWNNYGDMCHGJ-MOGJOVFKSA-N
XLogP3.78
TPSA161.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 53.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic 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-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The IUPAC name of 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid (CID 66615741) is 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid is NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O.O=C(O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
The InChIKey is JGLWNNYGDMCHGJ-MOGJOVFKSA-N. The full InChI is InChI=1S/C18H20N2O4.C15H15NO2/c21-17(22)15(11-13-7-3-1-4-8-13)19-20-16(18(23)24)12-14-9-5-2-6-10-14;16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24);1-9,14H,10,16H2,(H,17,18)/t15-,16-;/m0./s1.
What are the key properties of 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid?
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid has a molecular weight of 569.66 g/mol, XLogP of 3.78, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid is sourced from PubChem (CID 66615741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).