tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

C17H30N2O5 — CID 122594416

IUPACtert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(O)[C@H](CO)N1C(=O)C2(CCC(C)N2C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C17H30N2O5/c1-10-7-8-17(19(10)15(23)24-16(4,5)6)12(3)18(14(17)22)13(9-20)11(2)21/h10-13,20-21H,7-9H2,1-6H3/t10?,11?,12?,13-,17?/m0/s1
InChIKeyHLOUOJZGIBGZMO-RQYMUSGFSA-N
MW342.44 g/mol
LogP1.12
Rot. Bonds3

About tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate

tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 122594416) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID122594416
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Nametert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(O)[C@H](CO)N1C(=O)C2(CCC(C)N2C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C17H30N2O5/c1-10-7-8-17(19(10)15(23)24-16(4,5)6)12(3)18(14(17)22)13(9-20)11(2)21/h10-13,20-21H,7-9H2,1-6H3/t10?,11?,12?,13-,17?/m0/s1
InChIKeyHLOUOJZGIBGZMO-RQYMUSGFSA-N
XLogP1.12
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[3-hydroxy-1-[(4-methoxyphenyl)methylamino]-1-oxobutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 135315619
2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid
CID 123490191
3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315624
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 135167833
2-ethoxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174885391
(5S)-2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 76844442
2-(butoxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90330018
tert-butyl (3R,5S)-5-(2-methylpropyl)-4-oxo-1-oxa-6-azaspiro[2.3]hexane-6-carboxylate
CID 134242401
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
CID 102209671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 122594416) is tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is CC(O)[C@H](CO)N1C(=O)C2(CCC(C)N2C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is HLOUOJZGIBGZMO-RQYMUSGFSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-10-7-8-17(19(10)15(23)24-16(4,5)6)12(3)18(14(17)22)13(9-20)11(2)21/h10-13,20-21H,7-9H2,1-6H3/t10?,11?,12?,13-,17?/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate?
tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 122594416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).