3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one

C8H14N2O3 — CID 105442058

IUPAC3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
SMILESNCCN1CC2(CCOC2)OC1=O
InChIInChI=1S/C8H14N2O3/c9-2-3-10-5-8(13-7(10)11)1-4-12-6-8/h1-6,9H2
InChIKeyPSRSOJBTWNQEPA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.44
Rot. Bonds2

About 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one

3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one (PubChem CID 105442058) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
PubChem CID105442058
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
SMILESNCCN1CC2(CCOC2)OC1=O
InChIInChI=1S/C8H14N2O3/c9-2-3-10-5-8(13-7(10)11)1-4-12-6-8/h1-6,9H2
InChIKeyPSRSOJBTWNQEPA-UHFFFAOYSA-N
XLogP-0.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminopropyl)-1-oxa-8-thia-3-azaspiro[4.5]decan-2-one
CID 105488547
7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 146246264
3-(2-aminoethyl)-1-oxa-3,8-diazaspiro[5.5]undecan-2-one
CID 105466874
3-(3-aminophenyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one
CID 105494121
8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895699
8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154894886
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70764099
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95894215
3-(2-hydroxyethyl)-1-oxa-9-thia-3-azaspiro[4.5]decan-2-one
CID 105471489
3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70784108
[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 70714433

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The IUPAC name of 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one (CID 105442058) is 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one is NCCN1CC2(CCOC2)OC1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
The InChIKey is PSRSOJBTWNQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-2-3-10-5-8(13-7(10)11)1-4-12-6-8/h1-6,9H2.
What are the key properties of 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one?
3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one has a molecular weight of 186.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,7-dioxa-3-azaspiro[4.4]nonan-2-one is sourced from PubChem (CID 105442058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).