[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid

C16H22N2O2 — CID 20792051

IUPAC[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
SMILESC[C@H]1C(NC(=O)O)CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C16H22N2O2/c1-12-14(17-15(19)20)10-18(11-16(12)7-8-16)9-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,19,20)/t12-,14?/m0/s1
InChIKeyYNWCFAFLHSUZEE-NBFOIZRFSA-N
MW274.36 g/mol
LogP2.55
Rot. Bonds3

About [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid

[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid (PubChem CID 20792051) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid.

Molecular Properties

Compound Name[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
PubChem CID20792051
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
SMILESC[C@H]1C(NC(=O)O)CN(Cc2ccccc2)CC12CC2
InChIInChI=1S/C16H22N2O2/c1-12-14(17-15(19)20)10-18(11-16(12)7-8-16)9-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,19,20)/t12-,14?/m0/s1
InChIKeyYNWCFAFLHSUZEE-NBFOIZRFSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
CID 20792134
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
CID 135055291
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
CID 83851265
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
[(3R,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamic acid
CID 146401949
methyl (1R,5S)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
CID 129499579

Frequently Asked Questions

What is the IUPAC name of [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid?
The IUPAC name of [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid (CID 20792051) is [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid.
What is the SMILES notation for [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid?
The canonical SMILES for [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid is C[C@H]1C(NC(=O)O)CN(Cc2ccccc2)CC12CC2.
What is the InChIKey of [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid?
The InChIKey is YNWCFAFLHSUZEE-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-14(17-15(19)20)10-18(11-16(12)7-8-16)9-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,19,20)/t12-,14?/m0/s1.
What are the key properties of [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid?
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid has a molecular weight of 274.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid is sourced from PubChem (CID 20792051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).