benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate

C17H23NO3 — CID 135393412

IUPACbenzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C17H23NO3/c19-12-15-10-17(11-15)6-8-18(9-7-17)16(20)21-13-14-4-2-1-3-5-14/h1-5,15,19H,6-13H2
InChIKeyFAGZYVXHJMOPGB-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.81
Rot. Bonds3

About benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate

benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 135393412) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID135393412
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Namebenzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CC(CO)C2
InChIInChI=1S/C17H23NO3/c19-12-15-10-17(11-15)6-8-18(9-7-17)16(20)21-13-14-4-2-1-3-5-14/h1-5,15,19H,6-13H2
InChIKeyFAGZYVXHJMOPGB-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324856
benzyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 153291098
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 2-methylsulfonyloxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 86748633
2-(7-azaspiro[3.5]nonan-2-yloxy)ethanol;benzyl 2-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 160500157
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate (CID 135393412) is benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate is O=C(OCc1ccccc1)N1CCC2(CC1)CC(CO)C2.
What is the InChIKey of benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is FAGZYVXHJMOPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-12-15-10-17(11-15)6-8-18(9-7-17)16(20)21-13-14-4-2-1-3-5-14/h1-5,15,19H,6-13H2.
What are the key properties of benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 135393412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).