benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate

C15H20N2O2 — CID 97297451

IUPACbenzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
SMILESN[C@H]1CCN(C(=O)OCc2ccccc2)CC12CC2
InChIInChI=1S/C15H20N2O2/c16-13-6-9-17(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2/t13-/m0/s1
InChIKeyIYVJWACCNBOBDG-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds2

About benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate

benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate (PubChem CID 97297451) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate.

Molecular Properties

Compound Namebenzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
PubChem CID97297451
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
SMILESN[C@H]1CCN(C(=O)OCc2ccccc2)CC12CC2
InChIInChI=1S/C15H20N2O2/c16-13-6-9-17(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2/t13-/m0/s1
InChIKeyIYVJWACCNBOBDG-ZDUSSCGKSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 130138481
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240

Frequently Asked Questions

What is the IUPAC name of benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate?
The IUPAC name of benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate (CID 97297451) is benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate.
What is the SMILES notation for benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate?
The canonical SMILES for benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate is N[C@H]1CCN(C(=O)OCc2ccccc2)CC12CC2.
What is the InChIKey of benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate?
The InChIKey is IYVJWACCNBOBDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-6-9-17(11-15(13)7-8-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2/t13-/m0/s1.
What are the key properties of benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate?
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate is sourced from PubChem (CID 97297451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).