(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid

C14H23NO4 — CID 102944337

IUPAC(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NC1CCCCCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO4/c16-13(11-8-9-12(19-11)14(17)18)15-10-6-4-2-1-3-5-7-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyRXSGDHSIYBODGS-NWDGAFQWSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds3

About (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944337) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944337
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NC1CCCCCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H23NO4/c16-13(11-8-9-12(19-11)14(17)18)15-10-6-4-2-1-3-5-7-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKeyRXSGDHSIYBODGS-NWDGAFQWSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 103062485
5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688444
N-cyclohexyloxirane-2-carboxamide
CID 560327
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688889
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[(1-propylpiperidin-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687897
5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
CID 102689083
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
(1S,2R,3R,4S)-3-(cyclohexylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98119148
5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
CID 102687991

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid (CID 102944337) is (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid is O=C(NC1CCCCCCC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is RXSGDHSIYBODGS-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(11-8-9-12(19-11)14(17)18)15-10-6-4-2-1-3-5-7-10/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).