methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate

C12H14ClNO4 — CID 166416138

IUPACmethyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](NC(=O)CCl)c1ccc(OC)cc1
InChIInChI=1S/C12H14ClNO4/c1-17-9-5-3-8(4-6-9)11(12(16)18-2)14-10(15)7-13/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyGQKYKOBDJDKKKT-LLVKDONJSA-N
MW271.70 g/mol
LogP1.26
Rot. Bonds5

About methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate

methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate (PubChem CID 166416138) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
PubChem CID166416138
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Namemethyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](NC(=O)CCl)c1ccc(OC)cc1
InChIInChI=1S/C12H14ClNO4/c1-17-9-5-3-8(4-6-9)11(12(16)18-2)14-10(15)7-13/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyGQKYKOBDJDKKKT-LLVKDONJSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
2-[(2-methoxyacetyl)amino]-2-(4-methoxyphenyl)acetamide
CID 75080759
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-(4-methoxyphenyl)acetate
CID 10180421
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate (CID 166416138) is methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate is COC(=O)[C@H](NC(=O)CCl)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate?
The InChIKey is GQKYKOBDJDKKKT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-17-9-5-3-8(4-6-9)11(12(16)18-2)14-10(15)7-13/h3-6,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate?
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate has a molecular weight of 271.70 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 166416138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).