tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate

C15H25N3O4 — CID 99813858

IUPACtert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
SMILESCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-13(21)16-9-10-7-5-6-8-15(10)11(19)18(4)12(20)17-15/h10H,5-9H2,1-4H3,(H,16,21)(H,17,20)/t10-,15-/m1/s1
InChIKeyJZEXWYRLXUWYTK-MEBBXXQBSA-N
MW311.38 g/mol
LogP1.62
Rot. Bonds2

About tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate

tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate (PubChem CID 99813858) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
PubChem CID99813858
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
SMILESCN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H25N3O4/c1-14(2,3)22-13(21)16-9-10-7-5-6-8-15(10)11(19)18(4)12(20)17-15/h10H,5-9H2,1-4H3,(H,16,21)(H,17,20)/t10-,15-/m1/s1
InChIKeyJZEXWYRLXUWYTK-MEBBXXQBSA-N
XLogP1.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
tert-butyl N-[[(5R,6R)-3-[(3-fluorophenyl)methyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 97219686
tert-butyl N-[(3-oxospiro[3.3]heptan-1-yl)methyl]carbamate
CID 139026887
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
tert-butyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 18777103
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl N-[(2-oxo-1-azaspiro[3.3]heptan-6-yl)methyl]carbamate
CID 167930532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate (CID 99813858) is tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate is CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The InChIKey is JZEXWYRLXUWYTK-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2,3)22-13(21)16-9-10-7-5-6-8-15(10)11(19)18(4)12(20)17-15/h10H,5-9H2,1-4H3,(H,16,21)(H,17,20)/t10-,15-/m1/s1.
What are the key properties of tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(5R,6R)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate is sourced from PubChem (CID 99813858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).