2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

C10H18N2O2 — CID 126997899

IUPAC2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC12CCOC2
InChIInChI=1S/C10H18N2O2/c1-8(11)9(13)12-5-2-3-10(12)4-6-14-7-10/h8H,2-7,11H2,1H3
InChIKeyRYWCTUPLDAOYFU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.12
Rot. Bonds1

About 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one

2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (PubChem CID 126997899) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
PubChem CID126997899
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC12CCOC2
InChIInChI=1S/C10H18N2O2/c1-8(11)9(13)12-5-2-3-10(12)4-6-14-7-10/h8H,2-7,11H2,1H3
InChIKeyRYWCTUPLDAOYFU-UHFFFAOYSA-N
XLogP0.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
(2R)-2-amino-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 78973108
3-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 130674066
3-methyl-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)but-2-en-1-one
CID 130689992
(2R)-1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-methylpentan-1-one
CID 99841406
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825
1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-2-ol
CID 130627672
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-amino-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 122238852
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 18337685
CID 159356901
CID 159356901
1-tert-butyl-7-oxa-1-azaspiro[4.4]nonane
CID 130211344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one (CID 126997899) is 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is CC(N)C(=O)N1CCCC12CCOC2.
What is the InChIKey of 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
The InChIKey is RYWCTUPLDAOYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(11)9(13)12-5-2-3-10(12)4-6-14-7-10/h8H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one?
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one has a molecular weight of 198.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one is sourced from PubChem (CID 126997899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).