5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid

C12H17NO5 — CID 166000430

IUPAC5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESC=CCOC(=O)N1CC(C(=O)O)CCC12COC2
InChIInChI=1S/C12H17NO5/c1-2-5-18-11(16)13-6-9(10(14)15)3-4-12(13)7-17-8-12/h2,9H,1,3-8H2,(H,14,15)
InChIKeyFBVUFVKMTJUQGJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.87
Rot. Bonds3

About 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid

5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 166000430) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID166000430
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESC=CCOC(=O)N1CC(C(=O)O)CCC12COC2
InChIInChI=1S/C12H17NO5/c1-2-5-18-11(16)13-6-9(10(14)15)3-4-12(13)7-17-8-12/h2,9H,1,3-8H2,(H,14,15)
InChIKeyFBVUFVKMTJUQGJ-UHFFFAOYSA-N
XLogP0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-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

2-(1-prop-2-enoxycarbonyl-1-azaspiro[3.3]heptan-3-yl)acetic acid
CID 167731857
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
7,7-dimethyl-1-prop-2-enoxycarbonyl-1-azaspiro[3.3]heptane-6-carboxylic acid
CID 167731695
prop-2-enyl 3-ethyl-3-ethynylmorpholine-4-carboxylate
CID 167727148
(3R,3aR,6aS)-2-prop-2-enoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 178194629
4-(4-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl)oxane-4-carboxylic acid
CID 167739754
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
4-hydroxy-1,2-bis(prop-2-enoxycarbonyl)pyrazolidine-3-carboxylic acid
CID 139760229
6,6-dimethylpiperidine-1,3-dicarboxylic acid
CID 123690605
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid (CID 166000430) is 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid is C=CCOC(=O)N1CC(C(=O)O)CCC12COC2.
What is the InChIKey of 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is FBVUFVKMTJUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-2-5-18-11(16)13-6-9(10(14)15)3-4-12(13)7-17-8-12/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid?
5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enoxycarbonyl-2-oxa-5-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 166000430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).