(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C14H23NO3 — CID 7102206

IUPAC(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-13(2,3)15-12(17)10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyPFOHMOSUHWDDIM-SNVBAGLBSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds1

About (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 7102206) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID7102206
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-13(2,3)15-12(17)10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyPFOHMOSUHWDDIM-SNVBAGLBSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 7102206) is (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CC(C)(C)NC(=O)[C@H]1CC(=O)OC12CCCCC2.
What is the InChIKey of (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is PFOHMOSUHWDDIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2,3)15-12(17)10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 7102206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).