(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one

C12H23N3O — CID 97174792

IUPAC(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC2(CCN2)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)10(13)11(16)15-7-4-12(5-8-15)3-6-14-12/h9-10,14H,3-8,13H2,1-2H3/t10-/m1/s1
InChIKeyFVRWHERUUPESLT-SNVBAGLBSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds2

About (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one (PubChem CID 97174792) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
PubChem CID97174792
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC2(CCN2)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)10(13)11(16)15-7-4-12(5-8-15)3-6-14-12/h9-10,14H,3-8,13H2,1-2H3/t10-/m1/s1
InChIKeyFVRWHERUUPESLT-SNVBAGLBSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210684
(2R)-2-amino-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 28787387
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
2-amino-1-(2-tert-butyl-7-azaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 175627364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one (CID 97174792) is (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CCC2(CCN2)CC1.
What is the InChIKey of (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
The InChIKey is FVRWHERUUPESLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)10(13)11(16)15-7-4-12(5-8-15)3-6-14-12/h9-10,14H,3-8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one is sourced from PubChem (CID 97174792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).