[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate

C14H17NO5 — CID 8015315

IUPAC[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-9(16)11-4-6-12(7-5-11)15-14(18)10(2)20-13(17)8-19-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyRMGWTOAQIWVHTL-SNVBAGLBSA-N
MW279.29 g/mol
LogP1.41
Rot. Bonds6

About [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate (PubChem CID 8015315) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
PubChem CID8015315
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H17NO5/c1-9(16)11-4-6-12(7-5-11)15-14(18)10(2)20-13(17)8-19-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyRMGWTOAQIWVHTL-SNVBAGLBSA-N
XLogP1.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxyacetate
CID 8018761
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 7776019
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526697
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920281
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7765594
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 7788772
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907753
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8552348
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773087

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate (CID 8015315) is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The canonical SMILES for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate is COCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The InChIKey is RMGWTOAQIWVHTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9(16)11-4-6-12(7-5-11)15-14(18)10(2)20-13(17)8-19-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate has a molecular weight of 279.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 8015315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).