5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid

C13H21NO5 — CID 106120430

IUPAC5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCC(O)CC2)O1
InChIInChI=1S/C13H21NO5/c15-9-3-1-8(2-4-9)7-14-12(16)10-5-6-11(19-10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyJDSPOIFEJVZKDS-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.29
Rot. Bonds4

About 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 106120430) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID106120430
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC2CCC(O)CC2)O1
InChIInChI=1S/C13H21NO5/c15-9-3-1-8(2-4-9)7-14-12(16)10-5-6-11(19-10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18)
InChIKeyJDSPOIFEJVZKDS-UHFFFAOYSA-N
XLogP0.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 106120430) is 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCC2CCC(O)CC2)O1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JDSPOIFEJVZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c15-9-3-1-8(2-4-9)7-14-12(16)10-5-6-11(19-10)13(17)18/h8-11,15H,1-7H2,(H,14,16)(H,17,18).
What are the key properties of 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106120430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).