(2S)-2-amino-3-(4-phenylphenyl)propanoic acid

C15H15NO2 — CID 2761815

IUPAC(2S)-2-amino-3-(4-phenylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
InChIKeyJCZLABDVDPYLRZ-AWEZNQCLSA-N
MW241.29 g/mol
LogP2.31
Rot. Bonds4

About (2S)-2-amino-3-(4-phenylphenyl)propanoic acid

(2S)-2-amino-3-(4-phenylphenyl)propanoic acid (PubChem CID 2761815) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-phenylphenyl)propanoic acid
PubChem CID2761815
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2S)-2-amino-3-(4-phenylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
InChIKeyJCZLABDVDPYLRZ-AWEZNQCLSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Phenibut
CID 14113
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
Ibuprofen Lysine
CID 9841440
Phenylglycine, D-
CID 70134
2-Phenylglycine
CID 3866
Endorphenyl
CID 6925665
DL-alpha-Methylphenylalanine
CID 108055
L-p-Boronophenylalanine
CID 150315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-phenylphenyl)propanoic acid (CID 2761815) is (2S)-2-amino-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-phenylphenyl)propanoic acid is N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-phenylphenyl)propanoic acid?
The InChIKey is JCZLABDVDPYLRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-phenylphenyl)propanoic acid?
(2S)-2-amino-3-(4-phenylphenyl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 2761815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).