benzyl 6-azaspiro[2.5]octane-2-carboxylate

C15H19NO2 — CID 163299046

IUPACbenzyl 6-azaspiro[2.5]octane-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C15H19NO2/c17-14(18-11-12-4-2-1-3-5-12)13-10-15(13)6-8-16-9-7-15/h1-5,13,16H,6-11H2
InChIKeyKLXVRLQVNUHNIY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds3

About benzyl 6-azaspiro[2.5]octane-2-carboxylate

benzyl 6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 163299046) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is benzyl 6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namebenzyl 6-azaspiro[2.5]octane-2-carboxylate
PubChem CID163299046
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namebenzyl 6-azaspiro[2.5]octane-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC12CCNCC2
InChIInChI=1S/C15H19NO2/c17-14(18-11-12-4-2-1-3-5-12)13-10-15(13)6-8-16-9-7-15/h1-5,13,16H,6-11H2
InChIKeyKLXVRLQVNUHNIY-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
benzyl 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-azaspiro[2.5]octane-2-carboxylate
CID 167068857
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
CID 177499812
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
1-amino-2-phenylmethoxycarbonylcyclodecane-1-carboxylic acid
CID 170988150
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
CID 174415897
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
dibenzyl (1S)-1-isocyanatocyclopropane-1,2-dicarboxylate
CID 142512643
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 155904367
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632

Frequently Asked Questions

What is the IUPAC name of benzyl 6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of benzyl 6-azaspiro[2.5]octane-2-carboxylate (CID 163299046) is benzyl 6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for benzyl 6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for benzyl 6-azaspiro[2.5]octane-2-carboxylate is O=C(OCc1ccccc1)C1CC12CCNCC2.
What is the InChIKey of benzyl 6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is KLXVRLQVNUHNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18-11-12-4-2-1-3-5-12)13-10-15(13)6-8-16-9-7-15/h1-5,13,16H,6-11H2.
What are the key properties of benzyl 6-azaspiro[2.5]octane-2-carboxylate?
benzyl 6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 163299046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).