2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid

C12H15ClN2O3 — CID 61265931

IUPAC2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7-4-5-8(13)6-9(7)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyARLXTRBSVRUYPD-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.63
Rot. Bonds3

About 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid

2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 61265931) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID61265931
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-7-4-5-8(13)6-9(7)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyARLXTRBSVRUYPD-UHFFFAOYSA-N
XLogP2.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
5-(5-chloro-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 5070588
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791570
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791707
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid (CID 61265931) is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid is Cc1ccc(Cl)cc1NC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is ARLXTRBSVRUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-4-5-8(13)6-9(7)14-11(18)15-12(2,3)10(16)17/h4-6H,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid?
2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61265931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).