(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one

C15H26N2O — CID 99852473

IUPAC(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C15H26N2O/c1-12(2)13(16)14(18)17-10-6-9-15(11-17)7-4-3-5-8-15/h3-4,12-13H,5-11,16H2,1-2H3/t13-,15+/m0/s1
InChIKeyZIKQASVTFHMALL-DZGCQCFKSA-N
MW250.39 g/mol
LogP2.32
Rot. Bonds2

About (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one (PubChem CID 99852473) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
PubChem CID99852473
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C15H26N2O/c1-12(2)13(16)14(18)17-10-6-9-15(11-17)7-4-3-5-8-15/h3-4,12-13H,5-11,16H2,1-2H3/t13-,15+/m0/s1
InChIKeyZIKQASVTFHMALL-DZGCQCFKSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 102557218
(2S)-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 124721262
(2R)-1-[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]-2-cyclopentyloxybutan-1-one
CID 99808068
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 99808110
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
(2S)-2-amino-1-[(5R,8R)-8-amino-2-azaspiro[4.4]nonan-2-yl]-3-methylbutan-1-one
CID 98083841
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylsulfonylpropan-1-one
CID 95627824
(2R)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 104921204
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one (CID 99852473) is (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1.
What is the InChIKey of (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one?
The InChIKey is ZIKQASVTFHMALL-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)13(16)14(18)17-10-6-9-15(11-17)7-4-3-5-8-15/h3-4,12-13H,5-11,16H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-3-methylbutan-1-one is sourced from PubChem (CID 99852473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).