2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

C13H17ClN2O4 — CID 62822492

IUPAC2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-13(2,11(17)18)16(3)12(19)15-9-7-8(14)5-6-10(9)20-4/h5-7H,1-4H3,(H,15,19)(H,17,18)
InChIKeyOYVSZWVZVUVJKL-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.68
Rot. Bonds4

About 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62822492) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62822492
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H17ClN2O4/c1-13(2,11(17)18)16(3)12(19)15-9-7-8(14)5-6-10(9)20-4/h5-7H,1-4H3,(H,15,19)(H,17,18)
InChIKeyOYVSZWVZVUVJKL-UHFFFAOYSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79630107
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 129040731
2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
CID 57209393
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
2-[butan-2-yl-[(5-chloro-2-methoxyphenyl)carbamoyl]amino]acetic acid
CID 61184960
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
3-[(5-chloro-2-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852461
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62822492) is 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is COc1ccc(Cl)cc1NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is OYVSZWVZVUVJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-13(2,11(17)18)16(3)12(19)15-9-7-8(14)5-6-10(9)20-4/h5-7H,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 300.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62822492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).