ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate

C17H30N2O6 — CID 178194780

IUPACditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-9-17(10-18)7-11(20)12(21)8-19(17)14(23)25-16(4,5)6/h11-12,20-21H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyVNRNHPYIPYJSHF-NWDGAFQWSA-N
MW358.44 g/mol
LogP1.34
Rot. Bonds

About ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate

ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate (PubChem CID 178194780) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
PubChem CID178194780
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Nameditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-9-17(10-18)7-11(20)12(21)8-19(17)14(23)25-16(4,5)6/h11-12,20-21H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyVNRNHPYIPYJSHF-NWDGAFQWSA-N
XLogP1.34
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate with MolForge

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Related Compounds

tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (9S,10R)-9,10-dihydroxy-7-azaspiro[4.6]undecane-7-carboxylate
CID 178194398
tert-butyl 7-(hydroxymethyl)-5-methyl-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 131231295
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037
tert-butyl (7S)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 167108536
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 7-hydroxy-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 155820592
tert-butyl (3aS,5S,6aS)-5-hydroxy-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 146422919
CID 176582761
CID 176582761

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The IUPAC name of ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate (CID 178194780) is ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate.
What is the SMILES notation for ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The canonical SMILES for ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate is CC(C)(C)OC(=O)N1CC2(C[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The InChIKey is VNRNHPYIPYJSHF-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-15(2,3)24-13(22)18-9-17(10-18)7-11(20)12(21)8-19(17)14(23)25-16(4,5)6/h11-12,20-21H,7-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate has a molecular weight of 358.44 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (7R,8S)-7,8-dihydroxy-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate is sourced from PubChem (CID 178194780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).