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

C13H15ClN2O5 — CID 66239543

IUPAC4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2COCC2C(=O)O)cc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-20-11-3-2-7(4-9(11)14)15-13(19)16-10-6-21-5-8(10)12(17)18/h2-4,8,10H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYUTOUZPNDAIOKU-UHFFFAOYSA-N
MW314.73 g/mol
LogP1.57
Rot. Bonds4

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

4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239543) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239543
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2COCC2C(=O)O)cc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-20-11-3-2-7(4-9(11)14)15-13(19)16-10-6-21-5-8(10)12(17)18/h2-4,8,10H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyYUTOUZPNDAIOKU-UHFFFAOYSA-N
XLogP1.57
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 107576429
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
CID 131911929
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240939
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934
4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240931
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
1-(3-chloro-4-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913080
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66239543) is 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid is COc1ccc(NC(=O)NC2COCC2C(=O)O)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is YUTOUZPNDAIOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-20-11-3-2-7(4-9(11)14)15-13(19)16-10-6-21-5-8(10)12(17)18/h2-4,8,10H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 314.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).