(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride

C16H31ClN2O — CID 119784790

IUPAC(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-13(2)11-14(17)15(19)18-10-6-9-16(12-18)7-4-3-5-8-16;/h13-14H,3-12,17H2,1-2H3;1H/t14-;/m0./s1
InChIKeyOMCZIRHZYIRLJM-UQKRIMTDSA-N
MW302.89 g/mol
LogP3.35
Rot. Bonds3

About (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride

(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride (PubChem CID 119784790) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
PubChem CID119784790
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-13(2)11-14(17)15(19)18-10-6-9-16(12-18)7-4-3-5-8-16;/h13-14H,3-12,17H2,1-2H3;1H/t14-;/m0./s1
InChIKeyOMCZIRHZYIRLJM-UQKRIMTDSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119789098
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2S)-2-amino-1-(4,4-dimethylazepan-1-yl)-4-methylpentan-1-one
CID 65281035
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-one;hydrochloride
CID 119732395
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride (CID 119784790) is (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride is CC(C)C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride?
The InChIKey is OMCZIRHZYIRLJM-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-13(2)11-14(17)15(19)18-10-6-9-16(12-18)7-4-3-5-8-16;/h13-14H,3-12,17H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride?
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119784790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).