3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

C15H18N2O3 — CID 91492727

IUPAC3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESCc1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1
InChIInChI=1S/C15H18N2O3/c1-11-2-4-12(5-3-11)13-10-15(20-16-13)6-8-17(9-7-15)14(18)19/h2-5,10,16H,6-9H2,1H3,(H,18,19)
InChIKeyAWXDGJYRHYAAAM-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds1

About 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (PubChem CID 91492727) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
PubChem CID91492727
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESCc1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1
InChIInChI=1S/C15H18N2O3/c1-11-2-4-12(5-3-11)13-10-15(20-16-13)6-8-17(9-7-15)14(18)19/h2-5,10,16H,6-9H2,1H3,(H,18,19)
InChIKeyAWXDGJYRHYAAAM-UHFFFAOYSA-N
XLogP2.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90836111
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 90917075
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-benzylcarbamate
CID 91037811
Tert-butyl 3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 57249161
Methyl 3-[3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]propanoate
CID 57319662
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90701932
Tert-butyl 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90704272
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-cyclohexylcarbamate
CID 90829383
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90845726
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
Tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
CID 90920602
N-[(4-methylphenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90945542

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (CID 91492727) is 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is Cc1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The InChIKey is AWXDGJYRHYAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-2-4-12(5-3-11)13-10-15(20-16-13)6-8-17(9-7-15)14(18)19/h2-5,10,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is sourced from PubChem (CID 91492727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).