7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C9H13NO4 — CID 165477859

IUPAC7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CC2(CCO1)CC(C(=O)O)=NO2
InChIInChI=1S/C9H13NO4/c1-6-4-9(2-3-13-6)5-7(8(11)12)10-14-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyGHFWMCYPICHNAA-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.79
Rot. Bonds1

About 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165477859) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165477859
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CC2(CCO1)CC(C(=O)O)=NO2
InChIInChI=1S/C9H13NO4/c1-6-4-9(2-3-13-6)5-7(8(11)12)10-14-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyGHFWMCYPICHNAA-UHFFFAOYSA-N
XLogP0.79
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470518
1,9-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477857
8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477855
2,7-dimethyl-1,8-dioxaspiro[4.5]decane-2-carboxylic acid
CID 130585344
(2R,3S,5R)-5-methyl-6-oxaspiro[2.5]octane-2-carboxylic acid
CID 124708919
1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 90755002
4-amino-2-methyloxane-4-carboxylic acid
CID 10855758
5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 117274241
4-tert-butyl-6-(2,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyrimidine-2-carboxylic acid
CID 154797824
8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 95043253
4-(3-hydroxybutan-2-yloxy)-2-methyloxane-4-carboxylic acid
CID 103377725
5-(2-methylmorpholine-4-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426552

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165477859) is 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CC1CC2(CCO1)CC(C(=O)O)=NO2.
What is the InChIKey of 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is GHFWMCYPICHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6-4-9(2-3-13-6)5-7(8(11)12)10-14-9/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,8-dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).