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

C12H14ClNO4 — CID 7776019

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(18-11(15)7-17-2)12(16)14-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyYJRKERLIHAYZAG-MRVPVSSYSA-N
MW271.70 g/mol
LogP1.86
Rot. Bonds5

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

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate (PubChem CID 7776019) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
PubChem CID7776019
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4/c1-8(18-11(15)7-17-2)12(16)14-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyYJRKERLIHAYZAG-MRVPVSSYSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
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[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-formylphenoxy)acetate
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
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[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
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[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate
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[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2-methoxyacetate
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[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-thiophen-3-ylacetate
CID 2591052
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate (CID 7776019) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate is COCC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
The InChIKey is YJRKERLIHAYZAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-8(18-11(15)7-17-2)12(16)14-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate has a molecular weight of 271.70 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 7776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).