methyl (4R)-4-aminooxolane-2-carboxylate

C6H11NO3 — CID 166752126

IUPACmethyl (4R)-4-aminooxolane-2-carboxylate
SMILESCOC(=O)C1C[C@@H](N)CO1
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-2-4(7)3-10-5/h4-5H,2-3,7H2,1H3/t4-,5?/m1/s1
InChIKeyJDXTUDWONUFHFU-CNZKWPKMSA-N
MW145.16 g/mol
LogP-0.72
Rot. Bonds1

About methyl (4R)-4-aminooxolane-2-carboxylate

methyl (4R)-4-aminooxolane-2-carboxylate (PubChem CID 166752126) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (4R)-4-aminooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-aminooxolane-2-carboxylate
PubChem CID166752126
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl (4R)-4-aminooxolane-2-carboxylate
SMILESCOC(=O)C1C[C@@H](N)CO1
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-2-4(7)3-10-5/h4-5H,2-3,7H2,1H3/t4-,5?/m1/s1
InChIKeyJDXTUDWONUFHFU-CNZKWPKMSA-N
XLogP-0.72
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 ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-aminooxolane-2-carboxylate?
The IUPAC name of methyl (4R)-4-aminooxolane-2-carboxylate (CID 166752126) is methyl (4R)-4-aminooxolane-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-aminooxolane-2-carboxylate?
The canonical SMILES for methyl (4R)-4-aminooxolane-2-carboxylate is COC(=O)C1C[C@@H](N)CO1.
What is the InChIKey of methyl (4R)-4-aminooxolane-2-carboxylate?
The InChIKey is JDXTUDWONUFHFU-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-6(8)5-2-4(7)3-10-5/h4-5H,2-3,7H2,1H3/t4-,5?/m1/s1.
What are the key properties of methyl (4R)-4-aminooxolane-2-carboxylate?
methyl (4R)-4-aminooxolane-2-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-aminooxolane-2-carboxylate is sourced from PubChem (CID 166752126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).