2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid

C12H14ClNO4 — CID 54941021

IUPAC2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)COCC(=O)O
InChIInChI=1S/C12H14ClNO4/c1-14(11(15)7-18-8-12(16)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyOWLJDDAZELHPIM-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.40
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 54941021) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
PubChem CID54941021
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)COCC(=O)O
InChIInChI=1S/C12H14ClNO4/c1-14(11(15)7-18-8-12(16)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyOWLJDDAZELHPIM-UHFFFAOYSA-N
XLogP1.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(4-chlorophenyl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63877600
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7867334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid (CID 54941021) is 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid is CN(Cc1ccc(Cl)cc1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is OWLJDDAZELHPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-14(11(15)7-18-8-12(16)17)6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 271.70 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 54941021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).