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

C14H23N3O4 — CID 95566495

IUPACtert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)NC2=O
InChIInChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)15-8-9-6-4-5-7-14(9)10(18)16-11(19)17-14/h9H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,19)/t9-,14+/m1/s1
InChIKeyNOZDQWCXDKOKPR-OTYXRUKQSA-N
MW297.35 g/mol
LogP1.28
Rot. Bonds2

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

tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate (PubChem CID 95566495) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
PubChem CID95566495
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Nametert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)NC2=O
InChIInChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)15-8-9-6-4-5-7-14(9)10(18)16-11(19)17-14/h9H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,19)/t9-,14+/m1/s1
InChIKeyNOZDQWCXDKOKPR-OTYXRUKQSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

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-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 99813858
tert-butyl 3-[2-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methylamino]-2-oxoethyl]azetidine-1-carboxylate
CID 97071794
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
N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 128555479
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
1-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-(3-ethyl-4-methylphenyl)urea
CID 124615846
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl)acetamide
CID 166429686
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-benzothiophene-5-carboxamide
CID 124884132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate (CID 95566495) is tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)NC2=O.
What is the InChIKey of tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
The InChIKey is NOZDQWCXDKOKPR-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-13(2,3)21-12(20)15-8-9-6-4-5-7-14(9)10(18)16-11(19)17-14/h9H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,19)/t9-,14+/m1/s1.
What are the key properties of tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate?
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate is sourced from PubChem (CID 95566495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).