(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one

C7H16N2O2 — CID 167006096

IUPAC(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
SMILESCN[C@H](CCC(N)O)C(C)=O
InChIInChI=1S/C7H16N2O2/c1-5(10)6(9-2)3-4-7(8)11/h6-7,9,11H,3-4,8H2,1-2H3/t6-,7?/m1/s1
InChIKeyBUKYBPHOUHZNBQ-ULUSZKPHSA-N
MW160.22 g/mol
LogP-0.78
Rot. Bonds5

About (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one

(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one (PubChem CID 167006096) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
PubChem CID167006096
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
SMILESCN[C@H](CCC(N)O)C(C)=O
InChIInChI=1S/C7H16N2O2/c1-5(10)6(9-2)3-4-7(8)11/h6-7,9,11H,3-4,8H2,1-2H3/t6-,7?/m1/s1
InChIKeyBUKYBPHOUHZNBQ-ULUSZKPHSA-N
XLogP-0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one?
The IUPAC name of (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one (CID 167006096) is (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one.
What is the SMILES notation for (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one?
The canonical SMILES for (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one is CN[C@H](CCC(N)O)C(C)=O.
What is the InChIKey of (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one?
The InChIKey is BUKYBPHOUHZNBQ-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(10)6(9-2)3-4-7(8)11/h6-7,9,11H,3-4,8H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one?
(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one has a molecular weight of 160.22 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one is sourced from PubChem (CID 167006096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).