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

C18H25NO3 — CID 142324856

IUPACbenzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CC(CCO)C2
InChIInChI=1S/C18H25NO3/c20-11-6-16-12-18(13-16)7-9-19(10-8-18)17(21)22-14-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2
InChIKeyPIIRYCDNZXLZLJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.20
Rot. Bonds4

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

benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 142324856) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID142324856
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namebenzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CC(CCO)C2
InChIInChI=1S/C18H25NO3/c20-11-6-16-12-18(13-16)7-9-19(10-8-18)17(21)22-14-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2
InChIKeyPIIRYCDNZXLZLJ-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 153291098
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 2-[2-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]ethyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324864
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate (CID 142324856) is benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate is O=C(OCc1ccccc1)N1CCC2(CC1)CC(CCO)C2.
What is the InChIKey of benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is PIIRYCDNZXLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-11-6-16-12-18(13-16)7-9-19(10-8-18)17(21)22-14-15-4-2-1-3-5-15/h1-5,16,20H,6-14H2.
What are the key properties of benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate?
benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 142324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).