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

C25H37N3O6 — CID 135315619

IUPACtert-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
SMILESCOc1ccc(CNC(=O)C(C(C)O)N2C(=O)C3(CCC(C)N3C(=O)OC(C)(C)C)C2C)cc1
InChIInChI=1S/C25H37N3O6/c1-15-12-13-25(28(15)23(32)34-24(4,5)6)17(3)27(22(25)31)20(16(2)29)21(30)26-14-18-8-10-19(33-7)11-9-18/h8-11,15-17,20,29H,12-14H2,1-7H3,(H,26,30)
InChIKeyJUGALDTYGACJLF-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.45
Rot. Bonds6

About 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

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 (PubChem CID 135315619) has the molecular formula C25H37N3O6 and a molecular weight of 475.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID135315619
Molecular FormulaC25H37N3O6
Molecular Weight475.59 g/mol
Exact Mass475.27
IUPAC Nametert-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
SMILESCOc1ccc(CNC(=O)C(C(C)O)N2C(=O)C3(CCC(C)N3C(=O)OC(C)(C)C)C2C)cc1
InChIInChI=1S/C25H37N3O6/c1-15-12-13-25(28(15)23(32)34-24(4,5)6)17(3)27(22(25)31)20(16(2)29)21(30)26-14-18-8-10-19(33-7)11-9-18/h8-11,15-17,20,29H,12-14H2,1-7H3,(H,26,30)
InChIKeyJUGALDTYGACJLF-UHFFFAOYSA-N
XLogP2.45
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
CID 118238217
tert-butyl N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-[(4-methoxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate
CID 54207675
tert-butyl N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 146265928
tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 4904980
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-5-azaspiro[3.4]octane-5-carboxylate
CID 122594375
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2R)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9452933
tert-butyl 4-[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]piperazine-1-carboxylate
CID 5133072
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 24598970

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CNC(=O)C(C(C)O)N2C(=O)C3(CCC(C)N3C(=O)OC(C)(C)C)C2C)cc1.
What is the InChIKey of 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?
The InChIKey is JUGALDTYGACJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O6/c1-15-12-13-25(28(15)23(32)34-24(4,5)6)17(3)27(22(25)31)20(16(2)29)21(30)26-14-18-8-10-19(33-7)11-9-18/h8-11,15-17,20,29H,12-14H2,1-7H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 475.59 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135315619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).