4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid

C12H12F2N2O4 — CID 66239756

IUPAC4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(Nc1cccc(F)c1F)NC1COCC1C(=O)O
InChIInChI=1S/C12H12F2N2O4/c13-7-2-1-3-8(10(7)14)15-12(19)16-9-5-20-4-6(9)11(17)18/h1-3,6,9H,4-5H2,(H,17,18)(H2,15,16,19)
InChIKeyCZFDHUFHCSICFX-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.19
Rot. Bonds3

About 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239756) has the molecular formula C12H12F2N2O4 and a molecular weight of 286.23 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239756
Molecular FormulaC12H12F2N2O4
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Name4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(Nc1cccc(F)c1F)NC1COCC1C(=O)O
InChIInChI=1S/C12H12F2N2O4/c13-7-2-1-3-8(10(7)14)15-12(19)16-9-5-20-4-6(9)11(17)18/h1-3,6,9H,4-5H2,(H,17,18)(H2,15,16,19)
InChIKeyCZFDHUFHCSICFX-UHFFFAOYSA-N
XLogP1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 107576429
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
4-[(2-bromo-6-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 114558567
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222666
4-[(2-bromo-4,6-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241535
4-[(2-chloro-4-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240939
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(4-carbamoylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240931
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66239756) is 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid is O=C(Nc1cccc(F)c1F)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is CZFDHUFHCSICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O4/c13-7-2-1-3-8(10(7)14)15-12(19)16-9-5-20-4-6(9)11(17)18/h1-3,6,9H,4-5H2,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 286.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).