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

C14H24N2O4 — CID 79877784

IUPAC4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2)6-4-3-5-11(14)16-13(19)15-10-8-20-7-9(10)12(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyDIZCERKWUHSZFT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.35
Rot. Bonds3

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

4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 79877784) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID79877784
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-14(2)6-4-3-5-11(14)16-13(19)15-10-8-20-7-9(10)12(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyDIZCERKWUHSZFT-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (CID 79877784) is 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is CC1(C)CCCCC1NC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is DIZCERKWUHSZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2)6-4-3-5-11(14)16-13(19)15-10-8-20-7-9(10)12(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79877784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).