[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate

C16H15NO4 — CID 2498474

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(N)=O
InChIInChI=1S/C16H15NO4/c1-11(15(17)18)20-16(19)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18)/t11-/m0/s1
InChIKeyXAKOOIMZYWEHEB-NSHDSACASA-N
MW285.30 g/mol
LogP2.51
Rot. Bonds5

About [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate

[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate (PubChem CID 2498474) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
PubChem CID2498474
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(N)=O
InChIInChI=1S/C16H15NO4/c1-11(15(17)18)20-16(19)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18)/t11-/m0/s1
InChIKeyXAKOOIMZYWEHEB-NSHDSACASA-N
XLogP2.51
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
[(2R)-1-amino-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606844
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-phenoxybenzoate
CID 7950325
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760769
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
2-O-(1-amino-1-oxopropan-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 56504712
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
phenyl 2-phenoxybenzoate
CID 2471273
methyl 2,4-dimethyl-5-[(2R)-2-(2-phenoxybenzoyl)oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 7760836
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7950334

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate (CID 2498474) is [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate is C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The InChIKey is XAKOOIMZYWEHEB-NSHDSACASA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(15(17)18)20-16(19)13-9-5-6-10-14(13)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,17,18)/t11-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate has a molecular weight of 285.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 2498474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).