3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one

C10H20N2O2 — CID 79267922

IUPAC3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
SMILESCC(C)[C@H](CO)N1CCCC(N)C1=O
InChIInChI=1S/C10H20N2O2/c1-7(2)9(6-13)12-5-3-4-8(11)10(12)14/h7-9,13H,3-6,11H2,1-2H3/t8?,9-/m0/s1
InChIKeyLRKOGEYEECMPNT-GKAPJAKFSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one

3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one (PubChem CID 79267922) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
PubChem CID79267922
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
SMILESCC(C)[C@H](CO)N1CCCC(N)C1=O
InChIInChI=1S/C10H20N2O2/c1-7(2)9(6-13)12-5-3-4-8(11)10(12)14/h7-9,13H,3-6,11H2,1-2H3/t8?,9-/m0/s1
InChIKeyLRKOGEYEECMPNT-GKAPJAKFSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one?
The IUPAC name of 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one (CID 79267922) is 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one is CC(C)[C@H](CO)N1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one?
The InChIKey is LRKOGEYEECMPNT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(6-13)12-5-3-4-8(11)10(12)14/h7-9,13H,3-6,11H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one?
3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one is sourced from PubChem (CID 79267922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).