methyl (3R,4S)-4-aminooxolane-3-carboxylate

C6H11NO3 — CID 45078903

IUPACmethyl (3R,4S)-4-aminooxolane-3-carboxylate
SMILESCOC(=O)[C@H]1COC[C@H]1N
InChIInChI=1S/C6H11NO3/c1-9-6(8)4-2-10-3-5(4)7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKeyYQKCZMNEYIICEE-CRCLSJGQSA-N
MW145.16 g/mol
LogP-0.87
Rot. Bonds1

About methyl (3R,4S)-4-aminooxolane-3-carboxylate

methyl (3R,4S)-4-aminooxolane-3-carboxylate (PubChem CID 45078903) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (3R,4S)-4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-aminooxolane-3-carboxylate
PubChem CID45078903
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (3R,4S)-4-aminooxolane-3-carboxylate
SMILESCOC(=O)[C@H]1COC[C@H]1N
InChIInChI=1S/C6H11NO3/c1-9-6(8)4-2-10-3-5(4)7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKeyYQKCZMNEYIICEE-CRCLSJGQSA-N
XLogP-0.87
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 ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-aminooxolane-3-carboxylate?
The IUPAC name of methyl (3R,4S)-4-aminooxolane-3-carboxylate (CID 45078903) is methyl (3R,4S)-4-aminooxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-aminooxolane-3-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-aminooxolane-3-carboxylate is COC(=O)[C@H]1COC[C@H]1N.
What is the InChIKey of methyl (3R,4S)-4-aminooxolane-3-carboxylate?
The InChIKey is YQKCZMNEYIICEE-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-6(8)4-2-10-3-5(4)7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1.
What are the key properties of methyl (3R,4S)-4-aminooxolane-3-carboxylate?
methyl (3R,4S)-4-aminooxolane-3-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-aminooxolane-3-carboxylate is sourced from PubChem (CID 45078903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).