4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

C13H22N2O5 — CID 66250560

IUPAC4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NC1CCCCC1O
InChIInChI=1S/C13H22N2O5/c1-13(11(17)18)7-20-6-10(13)15-12(19)14-8-4-2-3-5-9(8)16/h8-10,16H,2-7H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHRSQXERXICNKJK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.08
Rot. Bonds3

About 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250560) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250560
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NC1CCCCC1O
InChIInChI=1S/C13H22N2O5/c1-13(11(17)18)7-20-6-10(13)15-12(19)14-8-4-2-3-5-9(8)16/h8-10,16H,2-7H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHRSQXERXICNKJK-UHFFFAOYSA-N
XLogP0.08
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (CID 66250560) is 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NC1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is HRSQXERXICNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(11(17)18)7-20-6-10(13)15-12(19)14-8-4-2-3-5-9(8)16/h8-10,16H,2-7H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).