(2-benzoylphenyl) (2S)-2-aminopropanoate

C16H15NO3 — CID 67465428

IUPAC(2-benzoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11(17)16(19)20-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-11H,17H2,1H3/t11-/m0/s1
InChIKeyGFNPPTYDWWHXFL-NSHDSACASA-N
MW269.30 g/mol
LogP2.17
Rot. Bonds4

About (2-benzoylphenyl) (2S)-2-aminopropanoate

(2-benzoylphenyl) (2S)-2-aminopropanoate (PubChem CID 67465428) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2-benzoylphenyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(2-benzoylphenyl) (2S)-2-aminopropanoate
PubChem CID67465428
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2-benzoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11(17)16(19)20-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-11H,17H2,1H3/t11-/m0/s1
InChIKeyGFNPPTYDWWHXFL-NSHDSACASA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
(2-sulfanylphenyl) (2S)-2-aminopropanoate
CID 89084583
[(3S)-3-amino-4-[2-[(2S)-2-aminopropanoyl]oxyphenyl]-4-oxobutanoyl] (3S)-3-amino-4-[2-[(2S)-2-aminopropanoyl]oxyphenyl]-4-oxobutanoate
CID 54551750
(3-benzoylphenyl) (2S)-2-aminopropanoate
CID 18635238
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
[2-(2-formylbenzoyl)phenyl] 2-methylpropanoate
CID 123767326
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
CID 146420860

Frequently Asked Questions

What is the IUPAC name of (2-benzoylphenyl) (2S)-2-aminopropanoate?
The IUPAC name of (2-benzoylphenyl) (2S)-2-aminopropanoate (CID 67465428) is (2-benzoylphenyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (2-benzoylphenyl) (2S)-2-aminopropanoate?
The canonical SMILES for (2-benzoylphenyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoylphenyl) (2S)-2-aminopropanoate?
The InChIKey is GFNPPTYDWWHXFL-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(17)16(19)20-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-11H,17H2,1H3/t11-/m0/s1.
What are the key properties of (2-benzoylphenyl) (2S)-2-aminopropanoate?
(2-benzoylphenyl) (2S)-2-aminopropanoate has a molecular weight of 269.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylphenyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 67465428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).