tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate

C12H21NO2 — CID 98042480

IUPACtert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC12CCCC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-8-12(9)6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyBTWUZYAVGRDITF-VIFPVBQESA-N
MW211.30 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate

tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate (PubChem CID 98042480) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
PubChem CID98042480
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC12CCCC2
InChIInChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-8-12(9)6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyBTWUZYAVGRDITF-VIFPVBQESA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-(2,2-difluorocyclohexyl)carbamate
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tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
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tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
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tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
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tert-butyl N-[(2S)-6-phenacyl-6-azaspiro[2.5]octan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate (CID 98042480) is tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC12CCCC2.
What is the InChIKey of tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate?
The InChIKey is BTWUZYAVGRDITF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-8-12(9)6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate?
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate has a molecular weight of 211.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate is sourced from PubChem (CID 98042480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).