6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate

C18H23NO4 — CID 59395231

IUPAC6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
SMILESCCOC(=O)C1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyHPESIWGAJLAFOB-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.99
Rot. Bonds4

About 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate

6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate (PubChem CID 59395231) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
PubChem CID59395231
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate
SMILESCCOC(=O)C1CC12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyHPESIWGAJLAFOB-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
CID 234339
3-Piperidinecarboxylic acid, 1-methyl-, benzyl ester
CID 201117
N-Cbz-4-piperidineacetic acid
CID 1502086
Benzyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CID 12954053
1-O-tert-butyl 3-O-ethyl (3R,4R)-4-[hexyl(phenylmethoxycarbonyl)amino]piperidine-1,3-dicarboxylate
CID 44534575
1-(Phenylmethyl) (3R)-1,3-piperidinedicarboxylate
CID 736538
(S)-1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
CID 736539
N-Cbz-3-piperidineacetic acid
CID 4247237
Benzyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 10449485
Methyl N-Cbz-piperidine-2-carboxylate
CID 11011289
4-(1-((Benzyloxy)carbonyl)piperidin-4-YL)butanoic acid
CID 15512317
Benzyl ethyl piperidine-1,3-dicarboxylate
CID 17999271

Frequently Asked Questions

What is the IUPAC name of 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate?
The IUPAC name of 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate (CID 59395231) is 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate.
What is the SMILES notation for 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate?
The canonical SMILES for 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate is CCOC(=O)C1CC12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate?
The InChIKey is HPESIWGAJLAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate?
6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate has a molecular weight of 317.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate is sourced from PubChem (CID 59395231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).