4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid

C14H18N2O4 — CID 66240339

IUPAC4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2C(=O)O)cc1C
InChIInChI=1S/C14H18N2O4/c1-8-3-4-10(5-9(8)2)15-14(19)16-12-7-20-6-11(12)13(17)18/h3-5,11-12H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYQDOLRZBUZYQEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.52
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66240339) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66240339
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC2COCC2C(=O)O)cc1C
InChIInChI=1S/C14H18N2O4/c1-8-3-4-10(5-9(8)2)15-14(19)16-12-7-20-6-11(12)13(17)18/h3-5,11-12H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyYQDOLRZBUZYQEA-UHFFFAOYSA-N
XLogP1.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239543
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934
4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240931
4-[(5-cyano-2-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239173
4-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 107576429
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240939
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
CID 118778137
4-[2-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 79757146
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
4-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238972

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66240339) is 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid is Cc1ccc(NC(=O)NC2COCC2C(=O)O)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is YQDOLRZBUZYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-3-4-10(5-9(8)2)15-14(19)16-12-7-20-6-11(12)13(17)18/h3-5,11-12H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).