(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid

C13H21NO5 — CID 102945805

IUPAC(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CCCCC1O
InChIInChI=1S/C13H21NO5/c1-14(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)/t8?,9?,10-,11+/m0/s1
InChIKeyOFUDMJJQDGPSBG-WFBLGPOFSA-N
MW271.31 g/mol
LogP0.38
Rot. Bonds3

About (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945805) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102945805
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CCCCC1O
InChIInChI=1S/C13H21NO5/c1-14(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)/t8?,9?,10-,11+/m0/s1
InChIKeyOFUDMJJQDGPSBG-WFBLGPOFSA-N
XLogP0.38
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid (CID 102945805) is (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid is CN(C(=O)[C@@H]1CC[C@H](C(=O)O)O1)C1CCCCC1O.
What is the InChIKey of (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is OFUDMJJQDGPSBG-WFBLGPOFSA-N. The full InChI is InChI=1S/C13H21NO5/c1-14(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)/t8?,9?,10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(2-hydroxycyclohexyl)-methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).