6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one

C10H18N2O2 — CID 105451598

IUPAC6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESCC(CN)CN1OC2(CCC2)CC1=O
InChIInChI=1S/C10H18N2O2/c1-8(6-11)7-12-9(13)5-10(14-12)3-2-4-10/h8H,2-7,11H2,1H3
InChIKeyBXAUFQKGMKZWRB-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.67
Rot. Bonds3

About 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one

6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one (PubChem CID 105451598) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one
PubChem CID105451598
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one
SMILESCC(CN)CN1OC2(CCC2)CC1=O
InChIInChI=1S/C10H18N2O2/c1-8(6-11)7-12-9(13)5-10(14-12)3-2-4-10/h8H,2-7,11H2,1H3
InChIKeyBXAUFQKGMKZWRB-UHFFFAOYSA-N
XLogP0.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxy-2-methylpropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105441592
2-(3-amino-2-methylpropyl)-5-ethyl-5-methyl-1,2-oxazolidin-3-one
CID 105452968
2-(2-aminopropyl)-1,8-dioxa-2-azaspiro[4.5]decan-3-one
CID 105467615
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105434050
6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
CID 105482203
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
3-(3-amino-2-methylpropyl)-1,3-oxazolidin-2-one
CID 43367837
2-(3-amino-2-methylpropyl)-1,2-oxazolidin-5-one
CID 105430965
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
8-methyl-2-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 10444730
2-(3-hydroxypropyl)-1-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 105467611

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one (CID 105451598) is 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one is CC(CN)CN1OC2(CCC2)CC1=O.
What is the InChIKey of 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
The InChIKey is BXAUFQKGMKZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(6-11)7-12-9(13)5-10(14-12)3-2-4-10/h8H,2-7,11H2,1H3.
What are the key properties of 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one?
6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one has a molecular weight of 198.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-methylpropyl)-5-oxa-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 105451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).