2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate

C17H21NO6 — CID 58313061

IUPAC2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)OCc1ccccc1)OCCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-10-17(23-8-5-9-24-17)12-18(14)16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-/m0/s1
InChIKeyIHHSNQUDYNAHSC-AWEZNQCLSA-N
MW335.36 g/mol
LogP1.70
Rot. Bonds3

About 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate

2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate (PubChem CID 58313061) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate
PubChem CID58313061
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)OCc1ccccc1)OCCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-10-17(23-8-5-9-24-17)12-18(14)16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-/m0/s1
InChIKeyIHHSNQUDYNAHSC-AWEZNQCLSA-N
XLogP1.70
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate with MolForge

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Related Compounds

8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 15123244
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
1-O-benzyl 2-O-methyl (2S)-4,4-difluoropyrrolidine-1,2-dicarboxylate;methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 160892271
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
4-O-benzyl 3-O-methyl 1,8-dioxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 67387283
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
1-O-benzyl 2-O-methyl 4-(4-phenylphenyl)-4-propylsulfonylpyrrolidine-1,2-dicarboxylate
CID 67445605

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate?
The IUPAC name of 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate (CID 58313061) is 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate?
The canonical SMILES for 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate is COC(=O)[C@@H]1CC2(CN1C(=O)OCc1ccccc1)OCCCO2.
What is the InChIKey of 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate?
The InChIKey is IHHSNQUDYNAHSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO6/c1-21-15(19)14-10-17(23-8-5-9-24-17)12-18(14)16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate?
2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate is sourced from PubChem (CID 58313061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).