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

C15H20N2O2 — CID 71302045

IUPACbenzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
SMILESNC1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H20N2O2/c16-13-10-15(13)6-8-17(9-7-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyMAIUNOFRWGGGQG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds2

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

benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 71302045) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID71302045
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
SMILESNC1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C15H20N2O2/c16-13-10-15(13)6-8-17(9-7-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2
InChIKeyMAIUNOFRWGGGQG-UHFFFAOYSA-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 (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 (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 130138481
benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
benzyl 2-oxo-4-sulfanyl-8-azaspiro[4.5]decane-8-carboxylate
CID 171485533

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate (CID 71302045) is benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate is NC1CC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is MAIUNOFRWGGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-10-15(13)6-8-17(9-7-15)14(18)19-11-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2.
What are the key properties of benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate?
benzyl 2-amino-6-azaspiro[2.5]octane-6-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 2-amino-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 71302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).