(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one

C6H11NO3 — CID 25209450

IUPAC(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one
SMILESCO[C@H]1[C@H](C)OC(=O)[C@H]1N
InChIInChI=1S/C6H11NO3/c1-3-5(9-2)4(7)6(8)10-3/h3-5H,7H2,1-2H3/t3-,4-,5-/m0/s1
InChIKeyQMZUHNDYLKQONF-YUPRTTJUSA-N
MW145.16 g/mol
LogP-0.73
Rot. Bonds1

About (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one

(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one (PubChem CID 25209450) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one
PubChem CID25209450
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one
SMILESCO[C@H]1[C@H](C)OC(=O)[C@H]1N
InChIInChI=1S/C6H11NO3/c1-3-5(9-2)4(7)6(8)10-3/h3-5H,7H2,1-2H3/t3-,4-,5-/m0/s1
InChIKeyQMZUHNDYLKQONF-YUPRTTJUSA-N
XLogP-0.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one?
The IUPAC name of (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one (CID 25209450) is (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one is CO[C@H]1[C@H](C)OC(=O)[C@H]1N.
What is the InChIKey of (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one?
The InChIKey is QMZUHNDYLKQONF-YUPRTTJUSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(9-2)4(7)6(8)10-3/h3-5H,7H2,1-2H3/t3-,4-,5-/m0/s1.
What are the key properties of (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one?
(3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-3-amino-4-methoxy-5-methyloxolan-2-one is sourced from PubChem (CID 25209450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).