dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

C9H15NO5 — CID 11053097

IUPACdimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(OC)N1C(=O)OC
InChIInChI=1S/C9H15NO5/c1-13-7-5-4-6(8(11)14-2)10(7)9(12)15-3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyRXDFZGINLOTVLC-PKPIPKONSA-N
MW217.22 g/mol
LogP0.36
Rot. Bonds2

About dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate (PubChem CID 11053097) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
PubChem CID11053097
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namedimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(OC)N1C(=O)OC
InChIInChI=1S/C9H15NO5/c1-13-7-5-4-6(8(11)14-2)10(7)9(12)15-3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1
InChIKeyRXDFZGINLOTVLC-PKPIPKONSA-N
XLogP0.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate (CID 11053097) is dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1CCC(OC)N1C(=O)OC.
What is the InChIKey of dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The InChIKey is RXDFZGINLOTVLC-PKPIPKONSA-N. The full InChI is InChI=1S/C9H15NO5/c1-13-7-5-4-6(8(11)14-2)10(7)9(12)15-3/h6-7H,4-5H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate has a molecular weight of 217.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11053097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).