2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

C14H19ClN2O3 — CID 63065085

IUPAC2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)CC(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(2)7-17(8-13(18)19)14(20)16-12-5-4-10(3)6-11(12)15/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIDCOYWLXBRDYBA-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.22
Rot. Bonds5

About 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid

2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63065085) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63065085
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(=O)O)CC(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c1-9(2)7-17(8-13(18)19)14(20)16-12-5-4-10(3)6-11(12)15/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyIDCOYWLXBRDYBA-UHFFFAOYSA-N
XLogP3.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065952
2-[(2-chloro-4-iodophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107605798
2-[(2-chloro-4-cyanophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107809291
3-[(2-chloro-4-methylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852285
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3606939
2-[(3-chloro-5-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107368719
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
2-[butan-2-yl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 61188375
N-[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4688923
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[butan-2-yl-[(2,4-dichlorophenyl)carbamoyl]amino]acetic acid
CID 61181038

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid (CID 63065085) is 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is Cc1ccc(NC(=O)N(CC(=O)O)CC(C)C)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is IDCOYWLXBRDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)7-17(8-13(18)19)14(20)16-12-5-4-10(3)6-11(12)15/h4-6,9H,7-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).