cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate

C10H11NO6 — CID 134922721

IUPACcis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C10H11NO6/c1-16-9(14)5-4-6(12)7(5)8(13)11-2-3-17-10(11)15/h5,7H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyWWSIRPBMVOKHNG-VDTYLAMSSA-N
MW241.20 g/mol
LogP-0.66
Rot. Bonds2

About cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate

cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate (PubChem CID 134922721) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
PubChem CID134922721
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Namecis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C10H11NO6/c1-16-9(14)5-4-6(12)7(5)8(13)11-2-3-17-10(11)15/h5,7H,2-4H2,1H3/t5-,7+/m1/s1
InChIKeyWWSIRPBMVOKHNG-VDTYLAMSSA-N
XLogP-0.66
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate (CID 134922721) is cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate is COC(=O)[C@@H]1CC(=O)[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate?
The InChIKey is WWSIRPBMVOKHNG-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H11NO6/c1-16-9(14)5-4-6(12)7(5)8(13)11-2-3-17-10(11)15/h5,7H,2-4H2,1H3/t5-,7+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate?
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate has a molecular weight of 241.20 g/mol, XLogP of -0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 134922721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).