[(2S)-1-anilino-1-oxopropan-2-yl] acetate

C11H13NO3 — CID 7000051

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(15-9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyLDMCNEBDRSMUHG-QMMMGPOBSA-N
MW207.23 g/mol
LogP1.58
Rot. Bonds3

About [(2S)-1-anilino-1-oxopropan-2-yl] acetate

[(2S)-1-anilino-1-oxopropan-2-yl] acetate (PubChem CID 7000051) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] acetate
PubChem CID7000051
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(15-9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyLDMCNEBDRSMUHG-QMMMGPOBSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
(1-anilino-1-oxohexan-2-yl) acetate
CID 134107020
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
[(2R)-1-anilino-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833960

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] acetate (CID 7000051) is [(2S)-1-anilino-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] acetate is CC(=O)O[C@@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] acetate?
The InChIKey is LDMCNEBDRSMUHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(15-9(2)13)11(14)12-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] acetate?
[(2S)-1-anilino-1-oxopropan-2-yl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 7000051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).