2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid

C13H16ClNO3 — CID 110466167

IUPAC2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-13(2,9-4-6-10(14)7-5-9)12(18)15(3)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyHGSMHPQEGRMGRS-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.16
Rot. Bonds4

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

2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid (PubChem CID 110466167) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
PubChem CID110466167
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c1-13(2,9-4-6-10(14)7-5-9)12(18)15(3)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyHGSMHPQEGRMGRS-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119233245
2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]-methylamino]acetic acid
CID 119172027
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
2-[methyl-[2-methyl-2-(4-nitrophenyl)propanoyl]amino]acetic acid
CID 119346072
1-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236410
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-[methyl-(2,2,2-trichloroacetyl)amino]acetic acid
CID 21402666
N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylpropanamide
CID 119454636

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid (CID 110466167) is 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)C(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid?
The InChIKey is HGSMHPQEGRMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2,9-4-6-10(14)7-5-9)12(18)15(3)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid?
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid has a molecular weight of 269.73 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid is sourced from PubChem (CID 110466167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).