(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one

C11H22N2O — CID 22690990

IUPAC(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O/c1-9(2)8-10(12)11(14)13-6-4-3-5-7-13/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyGJOOEAPBOIFBID-JTQLQIEISA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one

(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one (PubChem CID 22690990) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
PubChem CID22690990
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O/c1-9(2)8-10(12)11(14)13-6-4-3-5-7-13/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyGJOOEAPBOIFBID-JTQLQIEISA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S)-2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-4-methylpentan-1-one
CID 107404240
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790
2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
CID 54873478
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
CID 61157441
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]propanoic acid
CID 62311109
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one (CID 22690990) is (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one?
The InChIKey is GJOOEAPBOIFBID-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-10(12)11(14)13-6-4-3-5-7-13/h9-10H,3-8,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one?
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 22690990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).