(2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one

C11H22N2O — CID 10821833

IUPAC(2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyCGPFEPGLMSJJPP-UWVGGRQHSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one

(2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one (PubChem CID 10821833) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one
PubChem CID10821833
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyCGPFEPGLMSJJPP-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one (CID 10821833) is (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one?
The InChIKey is CGPFEPGLMSJJPP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h9-10H,3-8,12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one?
(2S,3S)-2-amino-3-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,3S)-2-amino-3-methyl-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 10821833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).