methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate

C6H9NO4 — CID 45082294

IUPACmethyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](N)C(=O)O1
InChIInChI=1S/C6H9NO4/c1-10-6(9)4-2-3(7)5(8)11-4/h3-4H,2,7H2,1H3/t3-,4+/m0/s1
InChIKeyVKNFZCLJRCMFCQ-IUYQGCFVSA-N
MW159.14 g/mol
LogP-1.20
Rot. Bonds1

About methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate

methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate (PubChem CID 45082294) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate
PubChem CID45082294
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](N)C(=O)O1
InChIInChI=1S/C6H9NO4/c1-10-6(9)4-2-3(7)5(8)11-4/h3-4H,2,7H2,1H3/t3-,4+/m0/s1
InChIKeyVKNFZCLJRCMFCQ-IUYQGCFVSA-N
XLogP-1.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2R,6S)-4-hydroxyoxane-2,6-dicarboxylate
CID 92523864
methyl (4R)-4-aminooxolane-2-carboxylate
CID 166752126
methyl 5-oxooxolane-2-carboxylate
CID 558879
methyl 4-[bis(phenylmethoxy)phosphorylmethyl]-5-oxooxolane-2-carboxylate
CID 123529663
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (4S)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylate
CID 163554708
methyl (1S,2R,5S)-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
CID 56605003
methyl 5-(hydroxymethyl)-2-oxooxolane-3-carboxylate
CID 75089899
methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate
CID 14562926
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 4-amino-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylate
CID 83915744

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate?
The IUPAC name of methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate (CID 45082294) is methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate is COC(=O)[C@H]1C[C@H](N)C(=O)O1.
What is the InChIKey of methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate?
The InChIKey is VKNFZCLJRCMFCQ-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H9NO4/c1-10-6(9)4-2-3(7)5(8)11-4/h3-4H,2,7H2,1H3/t3-,4+/m0/s1.
What are the key properties of methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate?
methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate has a molecular weight of 159.14 g/mol, XLogP of -1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-amino-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 45082294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).