(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide

C13H21NO3 — CID 97015821

IUPAC(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CCCCCCC2)O1
InChIInChI=1S/C13H21NO3/c15-12-9-8-11(17-12)13(16)14-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,14,16)/t11-/m0/s1
InChIKeyWUYHQWQAXFVHSZ-NSHDSACASA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds2

About (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide

(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide (PubChem CID 97015821) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
PubChem CID97015821
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CCCCCCC2)O1
InChIInChI=1S/C13H21NO3/c15-12-9-8-11(17-12)13(16)14-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,14,16)/t11-/m0/s1
InChIKeyWUYHQWQAXFVHSZ-NSHDSACASA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide
CID 77230935
N-cyclohexyloxirane-2-carboxamide
CID 560327
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid
CID 66985529
N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
CID 153078842
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-cyclohexyl-2-oxooxolane-3-carboxamide
CID 121221667
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16616544

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide?
The IUPAC name of (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide (CID 97015821) is (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide is O=C1CC[C@@H](C(=O)NC2CCCCCCC2)O1.
What is the InChIKey of (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide?
The InChIKey is WUYHQWQAXFVHSZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO3/c15-12-9-8-11(17-12)13(16)14-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide?
(2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 97015821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).