3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride

C13H25ClN2O2 — CID 119801721

IUPAC3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCCC2(CCCOC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-11(14)8-12(16)15-6-2-4-13(9-15)5-3-7-17-10-13;/h11H,2-10,14H2,1H3;1H
InChIKeyZYGDLRVXAMJFSL-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.56
Rot. Bonds2

About 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride

3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride (PubChem CID 119801721) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride
PubChem CID119801721
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCCC2(CCCOC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-11(14)8-12(16)15-6-2-4-13(9-15)5-3-7-17-10-13;/h11H,2-10,14H2,1H3;1H
InChIKeyZYGDLRVXAMJFSL-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120563784
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CID 119789084
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
CID 99850208
2-(1-hydroxycyclohexyl)-1-(6-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 136542893
3-amino-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)butan-1-one;hydrochloride
CID 119807659
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride (CID 119801721) is 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride is CC(N)CC(=O)N1CCCC2(CCCOC2)C1.Cl.
What is the InChIKey of 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride?
The InChIKey is ZYGDLRVXAMJFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-11(14)8-12(16)15-6-2-4-13(9-15)5-3-7-17-10-13;/h11H,2-10,14H2,1H3;1H.
What are the key properties of 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride?
3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-oxa-8-azaspiro[5.5]undecan-8-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119801721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).