4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one

C5H10N2O3 — CID 139820584

IUPAC4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one
SMILESCC(C)(N)C1(N)OC(=O)O1
InChIInChI=1S/C5H10N2O3/c1-4(2,6)5(7)9-3(8)10-5/h6-7H2,1-2H3
InChIKeyXNUGJKZCYGNVDC-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.50
Rot. Bonds1

About 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one

4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one (PubChem CID 139820584) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one
PubChem CID139820584
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one
SMILESCC(C)(N)C1(N)OC(=O)O1
InChIInChI=1S/C5H10N2O3/c1-4(2,6)5(7)9-3(8)10-5/h6-7H2,1-2H3
InChIKeyXNUGJKZCYGNVDC-UHFFFAOYSA-N
XLogP-0.50
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-ditert-butyl-1,3-dioxolan-2-one
CID 59942377
4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
CID 150250693
5-[(E)-3,3-dimethylbut-1-enyl]-5-methyloxolan-2-one
CID 146344730
4-(aminomethyl)-4-(diethylamino)-1,3-dioxetan-2-one
CID 166060566
3,4-ditert-butylpyrrole-2,5-dione
CID 149255246
3-amino-3,6,6-trimethyl-1,4-dioxane-2,5-dione
CID 146407356
1,4-dimethyl-5,10-dioxatricyclo[5.3.0.04,8]decane-6,9-dione
CID 3076047
4,4,5,5,6,6-hexa(propan-2-yl)-1,3-dioxan-2-one
CID 164934214
1,4-ditert-butyl-2,5-dioxabicyclo[2.2.1]heptane-3,6-dione
CID 14172681
5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one
CID 58990424
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
4,4-difluoro-5-methyl-5-phosphanyl-1,3-dioxolan-2-one
CID 170288336

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one?
The IUPAC name of 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one (CID 139820584) is 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one?
The canonical SMILES for 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one is CC(C)(N)C1(N)OC(=O)O1.
What is the InChIKey of 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one?
The InChIKey is XNUGJKZCYGNVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(2,6)5(7)9-3(8)10-5/h6-7H2,1-2H3.
What are the key properties of 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one?
4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one has a molecular weight of 146.15 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-aminopropan-2-yl)-1,3-dioxetan-2-one is sourced from PubChem (CID 139820584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).