7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid

C14H21N3O5 — CID 90423701

IUPAC7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid
SMILESCCOC(=O)C1CCN(C2=NOC3(C2)CN(C(=O)O)C3)CC1
InChIInChI=1S/C14H21N3O5/c1-2-21-12(18)10-3-5-16(6-4-10)11-7-14(22-15-11)8-17(9-14)13(19)20/h10H,2-9H2,1H3,(H,19,20)
InChIKeyUGTMJGIJAJHVRU-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.73
Rot. Bonds2

About 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid

7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid (PubChem CID 90423701) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid
PubChem CID90423701
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid
SMILESCCOC(=O)C1CCN(C2=NOC3(C2)CN(C(=O)O)C3)CC1
InChIInChI=1S/C14H21N3O5/c1-2-21-12(18)10-3-5-16(6-4-10)11-7-14(22-15-11)8-17(9-14)13(19)20/h10H,2-9H2,1H3,(H,19,20)
InChIKeyUGTMJGIJAJHVRU-UHFFFAOYSA-N
XLogP0.73
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid with MolForge

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Related Compounds

ethyl 1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylate
CID 118897913
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-[[5-cyclopropyl-2-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylate
CID 118897976
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
CID 57457177
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid?
The IUPAC name of 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid (CID 90423701) is 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid.
What is the SMILES notation for 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid?
The canonical SMILES for 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid is CCOC(=O)C1CCN(C2=NOC3(C2)CN(C(=O)O)C3)CC1.
What is the InChIKey of 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid?
The InChIKey is UGTMJGIJAJHVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-2-21-12(18)10-3-5-16(6-4-10)11-7-14(22-15-11)8-17(9-14)13(19)20/h10H,2-9H2,1H3,(H,19,20).
What are the key properties of 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid?
7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxycarbonylpiperidin-1-yl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylic acid is sourced from PubChem (CID 90423701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).