benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate

C14H18N2O2 — CID 97294914

IUPACbenzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESN[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c15-12-8-14(12)6-7-16(10-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-,14+/m0/s1
InChIKeyWENOQIOUQAFDMC-GXTWGEPZSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate

benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 97294914) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID97294914
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namebenzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESN[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c15-12-8-14(12)6-7-16(10-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-,14+/m0/s1
InChIKeyWENOQIOUQAFDMC-GXTWGEPZSA-N
XLogP1.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
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 (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
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 (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
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate (CID 97294914) is benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate is N[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is WENOQIOUQAFDMC-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-12-8-14(12)6-7-16(10-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-,14+/m0/s1.
What are the key properties of benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate?
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 97294914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).