3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C20H33N3O5 — CID 155408224

IUPAC3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(N(C(=O)OC)C3COC3)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C20H33N3O5/c1-3-16-17(10-20(16)6-9-22(13-20)18(24)25)21-7-4-14(5-8-21)23(19(26)27-2)15-11-28-12-15/h14-17H,3-13H2,1-2H3,(H,24,25)
InChIKeyRLNLHRSZQNZYFO-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.09
Rot. Bonds4

About 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 155408224) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID155408224
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Name3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCCC1C(N2CCC(N(C(=O)OC)C3COC3)CC2)CC12CCN(C(=O)O)C2
InChIInChI=1S/C20H33N3O5/c1-3-16-17(10-20(16)6-9-22(13-20)18(24)25)21-7-4-14(5-8-21)23(19(26)27-2)15-11-28-12-15/h14-17H,3-13H2,1-2H3,(H,24,25)
InChIKeyRLNLHRSZQNZYFO-UHFFFAOYSA-N
XLogP2.09
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 155408224) is 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCC1C(N2CCC(N(C(=O)OC)C3COC3)CC2)CC12CCN(C(=O)O)C2.
What is the InChIKey of 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is RLNLHRSZQNZYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c1-3-16-17(10-20(16)6-9-22(13-20)18(24)25)21-7-4-14(5-8-21)23(19(26)27-2)15-11-28-12-15/h14-17H,3-13H2,1-2H3,(H,24,25).
What are the key properties of 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 395.50 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[4-[methoxycarbonyl(oxetan-3-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 155408224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).