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

C16H15NO3 — CID 7020128

IUPAC(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKeyTVIDEEHSOPHZBR-AWEZNQCLSA-N
MW269.30 g/mol
LogP1.87
Rot. Bonds5

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

(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid (PubChem CID 7020128) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
PubChem CID7020128
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKeyTVIDEEHSOPHZBR-AWEZNQCLSA-N
XLogP1.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid (CID 7020128) is (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid is N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid?
The InChIKey is TVIDEEHSOPHZBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid?
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid is sourced from PubChem (CID 7020128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).