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

C15H19NO3 — CID 97294909

IUPACbenzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@]2(C[C@H]2CO)C1
InChIInChI=1S/C15H19NO3/c17-9-13-8-15(13)6-7-16(11-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2/t13-,15-/m0/s1
InChIKeyVTWDFSIRGHNERT-ZFWWWQNUSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds3

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

benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 97294909) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID97294909
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@]2(C[C@H]2CO)C1
InChIInChI=1S/C15H19NO3/c17-9-13-8-15(13)6-7-16(11-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2/t13-,15-/m0/s1
InChIKeyVTWDFSIRGHNERT-ZFWWWQNUSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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 (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl (7S)-7-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 124549706
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
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
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate (CID 97294909) is benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate is O=C(OCc1ccccc1)N1CC[C@]2(C[C@H]2CO)C1.
What is the InChIKey of benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is VTWDFSIRGHNERT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19NO3/c17-9-13-8-15(13)6-7-16(11-15)14(18)19-10-12-4-2-1-3-5-12/h1-5,13,17H,6-11H2/t13-,15-/m0/s1.
What are the key properties of benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate?
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 97294909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).