benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate

C14H18N2O2 — CID 124549706

IUPACbenzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESN[C@@H]1CN(C(=O)OCc2ccccc2)CC12CC2
InChIInChI=1S/C14H18N2O2/c15-12-8-16(10-14(12)6-7-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-/m1/s1
InChIKeyHQHBNTVXZGJLAI-GFCCVEGCSA-N
MW246.31 g/mol
LogP1.75
Rot. Bonds2

About benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate

benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 124549706) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Namebenzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID124549706
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namebenzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESN[C@@H]1CN(C(=O)OCc2ccccc2)CC12CC2
InChIInChI=1S/C14H18N2O2/c15-12-8-16(10-14(12)6-7-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-/m1/s1
InChIKeyHQHBNTVXZGJLAI-GFCCVEGCSA-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 (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 130138481
2-phenylmethoxycarbonyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 12042827
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
phenyl (4R)-4-amino-2-azaspiro[4.4]nonane-2-carboxylate
CID 98007482
benzyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 127264206
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 1-ethenyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 142882665
benzyl (3S,4S)-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 101067345

Frequently Asked Questions

What is the IUPAC name of benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate (CID 124549706) is benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate is N[C@@H]1CN(C(=O)OCc2ccccc2)CC12CC2.
What is the InChIKey of benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is HQHBNTVXZGJLAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-12-8-16(10-14(12)6-7-14)13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2/t12-/m1/s1.
What are the key properties of benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate?
benzyl (7S)-7-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 (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 124549706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).