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

C18H32N4O5 — CID 139374418

IUPACtert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-methylamino]methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCNC(=O)[C@H]([C@@H](C)O)N(C)CC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O5/c1-11(23)13(14(24)19-5)21(6)9-12-7-8-18(10-20-15(18)25)22(12)16(26)27-17(2,3)4/h11-13,23H,7-10H2,1-6H3,(H,19,24)(H,20,25)/t11-,12?,13+,18?/m1/s1
InChIKeyNHNUVECHUOMDRQ-HPZFQONSSA-N
MW384.48 g/mol
LogP-0.32
Rot. Bonds5

About 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

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 (PubChem CID 139374418) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-methylamino]methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID139374418
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Nametert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-methylamino]methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCNC(=O)[C@H]([C@@H](C)O)N(C)CC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O5/c1-11(23)13(14(24)19-5)21(6)9-12-7-8-18(10-20-15(18)25)22(12)16(26)27-17(2,3)4/h11-13,23H,7-10H2,1-6H3,(H,19,24)(H,20,25)/t11-,12?,13+,18?/m1/s1
InChIKeyNHNUVECHUOMDRQ-HPZFQONSSA-N
XLogP-0.32
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
CID 161092111
(2S,3R)-3-hydroxy-N,N-dimethyl-2-[methyl-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methyl]amino]butanamide
CID 139374263
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 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
5-(2-amino-3-hydroxybutanoyl)-6-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 76900068
(2S,3R)-3-hydroxy-2-[[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
CID 139374054
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 3-hydroxy-7-oxo-2,5,8-triazadispiro[3.1.36.24]undecane-5-carboxylate
CID 134243854
(2S,3R)-3-hydroxy-2-[[5-(2-methylpropyl)-3-oxo-2,5-diazaspiro[3.4]octan-6-yl]methylamino]butanamide
CID 142283798
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 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)[C@H]([C@@H](C)O)N(C)CC1CCC2(CNC2=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is NHNUVECHUOMDRQ-HPZFQONSSA-N. The full InChI is InChI=1S/C18H32N4O5/c1-11(23)13(14(24)19-5)21(6)9-12-7-8-18(10-20-15(18)25)22(12)16(26)27-17(2,3)4/h11-13,23H,7-10H2,1-6H3,(H,19,24)(H,20,25)/t11-,12?,13+,18?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 384.48 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).