2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride

C11H21ClN2O2 — CID 176884984

IUPAC2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
SMILESCC(C)(C)N(C(=O)O)C1CC2(CNC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-10(2,3)13(9(14)15)8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyKPRBKYWGFCCZSY-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.94
Rot. Bonds1

About 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride

2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride (PubChem CID 176884984) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
PubChem CID176884984
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride
SMILESCC(C)(C)N(C(=O)O)C1CC2(CNC2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-10(2,3)13(9(14)15)8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyKPRBKYWGFCCZSY-UHFFFAOYSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67126555
(3-aminocyclopentyl)-tert-butylcarbamic acid
CID 67110665
[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
CID 130475601
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
CID 130431191
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
tert-butyl-[(3S,6R)-6-methylpiperidin-3-yl]carbamic acid
CID 66990913
6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947605
tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid
CID 97170175
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
CID 146156377
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898
tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
CID 160959788

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride?
The IUPAC name of 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride (CID 176884984) is 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride.
What is the SMILES notation for 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride?
The canonical SMILES for 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride is CC(C)(C)N(C(=O)O)C1CC2(CNC2)C1.Cl.
What is the InChIKey of 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride?
The InChIKey is KPRBKYWGFCCZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-10(2,3)13(9(14)15)8-4-11(5-8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride?
2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-6-yl(tert-butyl)carbamic acid;hydrochloride is sourced from PubChem (CID 176884984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).