4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid

C13H15ClN2O4 — CID 66240939

IUPAC4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O4/c1-7-2-3-10(9(14)4-7)15-13(19)16-11-6-20-5-8(11)12(17)18/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXBJIQWILKKBCHR-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.87
Rot. Bonds3

About 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66240939) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66240939
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2C(=O)O)c(Cl)c1
InChIInChI=1S/C13H15ClN2O4/c1-7-2-3-10(9(14)4-7)15-13(19)16-11-6-20-5-8(11)12(17)18/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyXBJIQWILKKBCHR-UHFFFAOYSA-N
XLogP1.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
4-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 107576429
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240339
4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239173
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239543
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
(1R,6R)-6-[(2-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40872987
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239756
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66240939) is 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid is Cc1ccc(NC(=O)NC2COCC2C(=O)O)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is XBJIQWILKKBCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-7-2-3-10(9(14)4-7)15-13(19)16-11-6-20-5-8(11)12(17)18/h2-4,8,11H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).