tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate

C10H18N2O2 — CID 98001465

IUPACtert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1NCC12CNC2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)7-10(6-12-7)4-11-5-10/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOPTDWRLRSYCDKW-ZETCQYMHSA-N
MW198.27 g/mol
LogP-0.11
Rot. Bonds1

About tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate

tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate (PubChem CID 98001465) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate
PubChem CID98001465
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1NCC12CNC2
InChIInChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)7-10(6-12-7)4-11-5-10/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOPTDWRLRSYCDKW-ZETCQYMHSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
CID 146049305
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CID 124671307
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 67403070
tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate
CID 86601016
tert-butyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
CID 12985820
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175904413
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
6-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-2,3,5-tricarboxylic acid
CID 90106539
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755384
tert-butyl cyclopropanecarboxylate
CID 157212632

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate?
The IUPAC name of tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate (CID 98001465) is tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate.
What is the SMILES notation for tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate?
The canonical SMILES for tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate is CC(C)(C)OC(=O)[C@@H]1NCC12CNC2.
What is the InChIKey of tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate?
The InChIKey is OPTDWRLRSYCDKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)7-10(6-12-7)4-11-5-10/h7,11-12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate?
tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate has a molecular weight of 198.27 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate is sourced from PubChem (CID 98001465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).