tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate

C19H32N2O5 — CID 161092111

IUPACtert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
SMILESCNC(=O)[C@@H](CCC1CCC2(CCC2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H32N2O5/c1-12(22)14(16(24)20-5)7-6-13-8-10-19(11-9-15(19)23)21(13)17(25)26-18(2,3)4/h12-14,22H,6-11H2,1-5H3,(H,20,24)/t12-,13?,14+,19?/m1/s1
InChIKeyGQCJFVKVZNHMNJ-GWMLXNDSSA-N
MW368.47 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate

tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate (PubChem CID 161092111) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
PubChem CID161092111
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
SMILESCNC(=O)[C@@H](CCC1CCC2(CCC2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C19H32N2O5/c1-12(22)14(16(24)20-5)7-6-13-8-10-19(11-9-15(19)23)21(13)17(25)26-18(2,3)4/h12-14,22H,6-11H2,1-5H3,(H,20,24)/t12-,13?,14+,19?/m1/s1
InChIKeyGQCJFVKVZNHMNJ-GWMLXNDSSA-N
XLogP2.01
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-methylamino]methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 139374418
tert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]methyl]-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134230859
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
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
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 6-(aminomethyl)-5-azaspiro[3.4]octane-5-carboxylate
CID 155820435
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 122594416
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
tert-butyl 10-[(2R,3S)-4-(dimethylamino)-3-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]-4-oxobutan-2-yl]oxy-3,7-dioxo-2,5,8-triazadispiro[3.1.36.24]undecane-5-carboxylate
CID 167170444
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate (CID 161092111) is tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate is CNC(=O)[C@@H](CCC1CCC2(CCC2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is GQCJFVKVZNHMNJ-GWMLXNDSSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-12(22)14(16(24)20-5)7-6-13-8-10-19(11-9-15(19)23)21(13)17(25)26-18(2,3)4/h12-14,22H,6-11H2,1-5H3,(H,20,24)/t12-,13?,14+,19?/m1/s1.
What are the key properties of tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate?
tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 161092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).