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

C12H14Cl2N2O3 — CID 62822338

IUPAC2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18)
InChIKeyCBBISOJEXPNAJP-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.32
Rot. Bonds3

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

2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62822338) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62822338
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18)
InChIKeyCBBISOJEXPNAJP-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-tert-butyl-N'-(2,3-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108966056
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965784
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
1-[benzoyl(tert-butyl)amino]-3-(2,3-dichlorophenyl)urea
CID 134112185

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62822338) is 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is CN(C(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CBBISOJEXPNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-12(2,10(17)18)16(3)11(19)15-8-6-4-5-7(13)9(8)14/h4-6H,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 305.16 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).