5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

C12H19NO4 — CID 102688559

IUPAC5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC(CC1CC1)NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7(6-8-2-3-8)13-11(14)9-4-5-10(17-9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYFGHQUQYMWLWHL-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.92
Rot. Bonds5

About 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid

5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102688559) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102688559
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCC(CC1CC1)NC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7(6-8-2-3-8)13-11(14)9-4-5-10(17-9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyYFGHQUQYMWLWHL-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rel-(2R,5S)-5-({[(tert-butoxy)carbonyl]amino}methyl)oxolane-2-carboxylic acid
CID 96837502
rel-(2S,5R)-5-(((tert-butoxycarbonyl)amino)methyl)tetrahydrofuran-2-carboxylic acid
CID 91663078
5-[[4-(Trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688009
5-[[2-(Trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688010
5-[[3-(Trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688047
5-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688099
5-(5,5,5-Trifluoropentylcarbamoyl)oxolane-2-carboxylic acid
CID 102688816
(2R,5S)-5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944748
(2R,5S)-5-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944749
(2R,5S)-5-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944785
(2R,5S)-5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944836
(2R,5S)-5-(5,5,5-trifluoropentylcarbamoyl)oxolane-2-carboxylic acid
CID 102945549

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102688559) is 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is CC(CC1CC1)NC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is YFGHQUQYMWLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(6-8-2-3-8)13-11(14)9-4-5-10(17-9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102688559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).