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

C24H36N4O6 — CID 134230859

IUPACtert-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
SMILESCNC(=O)[C@@H](NCC1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C24H36N4O6/c1-16(29)19(20(30)25-5)26-13-18-11-12-24(28(18)22(32)34-23(2,3)4)15-27(21(24)31)33-14-17-9-7-6-8-10-17/h6-10,16,18-19,26,29H,11-15H2,1-5H3,(H,25,30)/t16-,18?,19+,24?/m1/s1
InChIKeyGOZVCZAROFELHS-YEMFZGSSSA-N
MW476.57 g/mol
LogP1.18
Rot. Bonds8

About 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

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 (PubChem CID 134230859) has the molecular formula C24H36N4O6 and a molecular weight of 476.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID134230859
Molecular FormulaC24H36N4O6
Molecular Weight476.57 g/mol
Exact Mass476.26
IUPAC Nametert-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
SMILESCNC(=O)[C@@H](NCC1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C24H36N4O6/c1-16(29)19(20(30)25-5)26-13-18-11-12-24(28(18)22(32)34-23(2,3)4)15-27(21(24)31)33-14-17-9-7-6-8-10-17/h6-10,16,18-19,26,29H,11-15H2,1-5H3,(H,25,30)/t16-,18?,19+,24?/m1/s1
InChIKeyGOZVCZAROFELHS-YEMFZGSSSA-N
XLogP1.18
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate
CID 134230733
tert-butyl 6-[(3S,4R)-4-hydroxy-3-(methylcarbamoyl)pentyl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
CID 161092111
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
(2S,3R)-3-hydroxy-2-[methyl-[(5-methylsulfonyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-6-yl)methyl]amino]butanamide
CID 139374119
tert-butyl (5R)-5-[2-(dibenzylamino)-3-hydroxy-3-phenylpropyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 69335308
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
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
6-acetyl-5-methyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;6-acetyl-2-phenylmethoxy-2,5-diazaspiro[3.4]octan-3-one;2-O-benzyl 1-O-tert-butyl 5-acetylpyrrolidine-1,2-dicarboxylate;tert-butyl 6-acetyl-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S)-2-[(1R)-1-hydroxyethyl]-4-(5-methyl-3-oxo-2,5-diazaspiro[3.4]octan-6-yl)-4-oxobutanamide;5-methyl-3-oxo-2,5-diazaspiro[3.4]octane-6-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,5-dicarboxylic acid;pyrrolidine-2,5-dicarboxylic acid
CID 159496862
tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
CID 122594375
tert-butyl 2-(1-hydroxyethyl)-5-methyl-2-[[(2S,3R)-1-oxo-1,3-bis(phenylmethoxy)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 121304150
CID 163263696
CID 163263696
tert-butyl (4R)-4-[[[(2S)-1-methoxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 45277540

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)[C@@H](NCC1CCC2(CN(OCc3ccccc3)C2=O)N1C(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of 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?
The InChIKey is GOZVCZAROFELHS-YEMFZGSSSA-N. The full InChI is InChI=1S/C24H36N4O6/c1-16(29)19(20(30)25-5)26-13-18-11-12-24(28(18)22(32)34-23(2,3)4)15-27(21(24)31)33-14-17-9-7-6-8-10-17/h6-10,16,18-19,26,29H,11-15H2,1-5H3,(H,25,30)/t16-,18?,19+,24?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 476.57 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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]amino]methyl]-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 134230859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).