tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate

C14H23NO4 — CID 124676210

IUPACtert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyYUQZYGBVDYJDIL-SNVBAGLBSA-N
MW269.34 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate

tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate (PubChem CID 124676210) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
PubChem CID124676210
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyYUQZYGBVDYJDIL-SNVBAGLBSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
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cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
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tert-butyl N-(2,2-difluorocyclohexyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate (CID 124676210) is tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC(=O)OC12CCCCC2.
What is the InChIKey of tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate?
The InChIKey is YUQZYGBVDYJDIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-10-9-11(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 tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate?
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate is sourced from PubChem (CID 124676210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).