3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C10H16F2N2O5 — CID 107481790

IUPAC3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)N(CCO)CC(F)F
InChIInChI=1S/C10H16F2N2O5/c11-7(12)5-14(2-3-15)9(18)13-10(8(16)17)1-4-19-6-10/h7,15H,1-6H2,(H,13,18)(H,16,17)
InChIKeyCBMACNWJGUZGOT-UHFFFAOYSA-N
MW282.24 g/mol
LogP-0.50
Rot. Bonds6

About 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 107481790) has the molecular formula C10H16F2N2O5 and a molecular weight of 282.24 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID107481790
Molecular FormulaC10H16F2N2O5
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)N(CCO)CC(F)F
InChIInChI=1S/C10H16F2N2O5/c11-7(12)5-14(2-3-15)9(18)13-10(8(16)17)1-4-19-6-10/h7,15H,1-6H2,(H,13,18)(H,16,17)
InChIKeyCBMACNWJGUZGOT-UHFFFAOYSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 107481790) is 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)N(CCO)CC(F)F.
What is the InChIKey of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is CBMACNWJGUZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O5/c11-7(12)5-14(2-3-15)9(18)13-10(8(16)17)1-4-19-6-10/h7,15H,1-6H2,(H,13,18)(H,16,17).
What are the key properties of 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 282.24 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107481790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).