(5R,6R)-5-amino-6-methyloxan-3-one

C6H11NO2 — CID 59107732

IUPAC(5R,6R)-5-amino-6-methyloxan-3-one
SMILESC[C@H]1OCC(=O)C[C@H]1N
InChIInChI=1S/C6H11NO2/c1-4-6(7)2-5(8)3-9-4/h4,6H,2-3,7H2,1H3/t4-,6-/m1/s1
InChIKeyLVVGQJOKNSQNLV-INEUFUBQSA-N
MW129.16 g/mol
LogP-0.31
Rot. Bonds

About (5R,6R)-5-amino-6-methyloxan-3-one

(5R,6R)-5-amino-6-methyloxan-3-one (PubChem CID 59107732) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5R,6R)-5-amino-6-methyloxan-3-one.

Molecular Properties

Compound Name(5R,6R)-5-amino-6-methyloxan-3-one
PubChem CID59107732
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5R,6R)-5-amino-6-methyloxan-3-one
SMILESC[C@H]1OCC(=O)C[C@H]1N
InChIInChI=1S/C6H11NO2/c1-4-6(7)2-5(8)3-9-4/h4,6H,2-3,7H2,1H3/t4-,6-/m1/s1
InChIKeyLVVGQJOKNSQNLV-INEUFUBQSA-N
XLogP-0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-amino-6-methyloxan-3-one?
The IUPAC name of (5R,6R)-5-amino-6-methyloxan-3-one (CID 59107732) is (5R,6R)-5-amino-6-methyloxan-3-one.
What is the SMILES notation for (5R,6R)-5-amino-6-methyloxan-3-one?
The canonical SMILES for (5R,6R)-5-amino-6-methyloxan-3-one is C[C@H]1OCC(=O)C[C@H]1N.
What is the InChIKey of (5R,6R)-5-amino-6-methyloxan-3-one?
The InChIKey is LVVGQJOKNSQNLV-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(7)2-5(8)3-9-4/h4,6H,2-3,7H2,1H3/t4-,6-/m1/s1.
What are the key properties of (5R,6R)-5-amino-6-methyloxan-3-one?
(5R,6R)-5-amino-6-methyloxan-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-amino-6-methyloxan-3-one is sourced from PubChem (CID 59107732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).