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

C16H15NO3 — CID 18635238

IUPAC(3-benzoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-11(17)16(19)20-14-9-5-8-13(10-14)15(18)12-6-3-2-4-7-12/h2-11H,17H2,1H3/t11-/m0/s1
InChIKeyPNXDGDZFMMWVDJ-NSHDSACASA-N
MW269.30 g/mol
LogP2.17
Rot. Bonds4

About (3-benzoylphenyl) (2S)-2-aminopropanoate

(3-benzoylphenyl) (2S)-2-aminopropanoate (PubChem CID 18635238) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3-benzoylphenyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(3-benzoylphenyl) (2S)-2-aminopropanoate
PubChem CID18635238
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3-benzoylphenyl) (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-11(17)16(19)20-14-9-5-8-13(10-14)15(18)12-6-3-2-4-7-12/h2-11H,17H2,1H3/t11-/m0/s1
InChIKeyPNXDGDZFMMWVDJ-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

(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(4-benzoylphenyl) (2S)-2-amino-3-methylbutanoate
CID 11022873
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
phenyl 3-(2-methylbutanoyloxy)benzoate
CID 59817149
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
2-[3-(4-methylbenzoyl)phenoxy]propanoic acid
CID 3057760

Frequently Asked Questions

What is the IUPAC name of (3-benzoylphenyl) (2S)-2-aminopropanoate?
The IUPAC name of (3-benzoylphenyl) (2S)-2-aminopropanoate (CID 18635238) is (3-benzoylphenyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (3-benzoylphenyl) (2S)-2-aminopropanoate?
The canonical SMILES for (3-benzoylphenyl) (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoylphenyl) (2S)-2-aminopropanoate?
The InChIKey is PNXDGDZFMMWVDJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(17)16(19)20-14-9-5-8-13(10-14)15(18)12-6-3-2-4-7-12/h2-11H,17H2,1H3/t11-/m0/s1.
What are the key properties of (3-benzoylphenyl) (2S)-2-aminopropanoate?
(3-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 (3-benzoylphenyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 18635238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).