2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid

C12H15Cl2NO2 — CID 65060982

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H15Cl2NO2/c1-12(2,11(16)17)15(3)7-8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQBNUYWVAEYNWFK-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid

2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 65060982) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID65060982
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H15Cl2NO2/c1-12(2,11(16)17)15(3)7-8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyQBNUYWVAEYNWFK-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
CID 79269061
2-[(2-chloro-3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060890
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820582
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 42911455
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65061234
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid (CID 65060982) is 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid is CN(Cc1cccc(Cl)c1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is QBNUYWVAEYNWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-12(2,11(16)17)15(3)7-8-5-4-6-9(13)10(8)14/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid?
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 276.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65060982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).