7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

C12H19NO4 — CID 105359874

IUPAC7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCC1(C)CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-11(2)7-12(4-5-17-11)6-8(14)13-9(12)10(15)16/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJLKDPFMVEXZITE-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds2

About 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359874) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359874
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCCC1(C)CC2(CCO1)CC(=O)NC2C(=O)O
InChIInChI=1S/C12H19NO4/c1-3-11(2)7-12(4-5-17-11)6-8(14)13-9(12)10(15)16/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJLKDPFMVEXZITE-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Hydroxy-4-methoxycarbonylmethyl-3-methyl-2-oxopyrrolidin-3-yl)propionic acid, methyl ester
CID 613935
(3S,5S)-2-[(tert-butoxy)carbonyl]-7-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 117846327
ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
CID 10965901
2-Acetamido-2-(6-oxaspiro[4.5]decan-9-yl)acetic acid
CID 79906194
2-Acetamido-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetic acid
CID 79906264
2-Acetamido-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79906481
7,7-Dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
3-(Oxan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359913
3-Oxo-7-propyl-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359953
7,9-Dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359958
7-Ethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105360012
7-Methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105360013

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359874) is 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CCC1(C)CC2(CCO1)CC(=O)NC2C(=O)O.
What is the InChIKey of 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is JLKDPFMVEXZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-11(2)7-12(4-5-17-11)6-8(14)13-9(12)10(15)16/h9H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).