3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid

C12H20N2O5 — CID 64890462

IUPAC3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(NC1CCC(O)CC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H20N2O5/c15-9-3-1-8(2-4-9)13-11(18)14-12(10(16)17)5-6-19-7-12/h8-9,15H,1-7H2,(H,16,17)(H2,13,14,18)
InChIKeyLTHUELYAVPPGBT-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.17
Rot. Bonds3

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

3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64890462) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID64890462
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESO=C(NC1CCC(O)CC1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C12H20N2O5/c15-9-3-1-8(2-4-9)13-11(18)14-12(10(16)17)5-6-19-7-12/h8-9,15H,1-7H2,(H,16,17)(H2,13,14,18)
InChIKeyLTHUELYAVPPGBT-UHFFFAOYSA-N
XLogP-0.17
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid (CID 64890462) is 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is O=C(NC1CCC(O)CC1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is LTHUELYAVPPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-9-3-1-8(2-4-9)13-11(18)14-12(10(16)17)5-6-19-7-12/h8-9,15H,1-7H2,(H,16,17)(H2,13,14,18).
What are the key properties of 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid?
3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).