benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate

C14H17NO3 — CID 130138481

IUPACbenzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CC2(CC2CO)C1
InChIInChI=1S/C14H17NO3/c16-7-12-6-14(12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeySCLLCGSPCMIIOK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.64
Rot. Bonds3

About benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate

benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate (PubChem CID 130138481) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
PubChem CID130138481
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CC2(CC2CO)C1
InChIInChI=1S/C14H17NO3/c16-7-12-6-14(12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeySCLLCGSPCMIIOK-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
5-(hydroxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167730341
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98299558

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The IUPAC name of benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate (CID 130138481) is benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate.
What is the SMILES notation for benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The canonical SMILES for benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate is O=C(OCc1ccccc1)N1CC2(CC2CO)C1.
What is the InChIKey of benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
The InChIKey is SCLLCGSPCMIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-7-12-6-14(12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2.
What are the key properties of benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate?
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate is sourced from PubChem (CID 130138481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).