5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid

C14H18N2O3 — CID 137480761

IUPAC5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C2(COC2)C1
InChIInChI=1S/C14H18N2O3/c17-13(18)15-6-7-16(14(9-15)10-19-11-14)8-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyGNMATFINJCRINZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds2

About 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid

5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid (PubChem CID 137480761) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
PubChem CID137480761
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C2(COC2)C1
InChIInChI=1S/C14H18N2O3/c17-13(18)15-6-7-16(14(9-15)10-19-11-14)8-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyGNMATFINJCRINZ-UHFFFAOYSA-N
XLogP1.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 167400886
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
ethyl (7S)-5-benzyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
CID 129410416
[7-(5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480951
(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-morpholin-2-ylmethanone
CID 119895647
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
6-benzyl-1-oxa-6-azaspiro[2.3]hexane
CID 56995453
4-amino-1-(1-benzyl-1,4-diazaspiro[5.5]undecan-4-yl)-3-methoxybutan-1-one;dihydrochloride
CID 120597300
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
CID 120565406

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The IUPAC name of 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid (CID 137480761) is 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid.
What is the SMILES notation for 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The canonical SMILES for 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid is O=C(O)N1CCN(Cc2ccccc2)C2(COC2)C1.
What is the InChIKey of 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid?
The InChIKey is GNMATFINJCRINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)15-6-7-16(14(9-15)10-19-11-14)8-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18).
What are the key properties of 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid?
5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylic acid is sourced from PubChem (CID 137480761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).