4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid

C13H22N2O4 — CID 66239170

IUPAC4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(NC(=O)NC2COCC2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-13(5-3-2-4-6-13)15-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMNQPODGVJSQXMH-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds3

About 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239170) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239170
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(NC(=O)NC2COCC2C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-13(5-3-2-4-6-13)15-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyMNQPODGVJSQXMH-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66239170) is 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is CC1(NC(=O)NC2COCC2C(=O)O)CCCCC1.
What is the InChIKey of 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is MNQPODGVJSQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(5-3-2-4-6-13)15-12(18)14-10-8-19-7-9(10)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).