methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate

C9H13NO5 — CID 10921878

IUPACmethyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C9H13NO5/c1-14-8(12)6-4-3-5-10(6)7(11)9(13)15-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWLWORZVYEMZTCS-LURJTMIESA-N
MW215.20 g/mol
LogP-0.68
Rot. Bonds1

About methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate (PubChem CID 10921878) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
PubChem CID10921878
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C9H13NO5/c1-14-8(12)6-4-3-5-10(6)7(11)9(13)15-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyWLWORZVYEMZTCS-LURJTMIESA-N
XLogP-0.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate (CID 10921878) is methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate is COC(=O)C(=O)N1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate?
The InChIKey is WLWORZVYEMZTCS-LURJTMIESA-N. The full InChI is InChI=1S/C9H13NO5/c1-14-8(12)6-4-3-5-10(6)7(11)9(13)15-2/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate has a molecular weight of 215.20 g/mol, XLogP of -0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10921878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).