1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

C15H19NO5 — CID 10946293

IUPAC1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(OC)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-19-13-9-8-12(14(17)20-2)16(13)15(18)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyOCDUEGKIGHCMHH-UEWDXFNNSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds4

About 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate (PubChem CID 10946293) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
PubChem CID10946293
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(OC)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-19-13-9-8-12(14(17)20-2)16(13)15(18)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyOCDUEGKIGHCMHH-UEWDXFNNSA-N
XLogP1.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate (CID 10946293) is 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate is COC(=O)[C@@H]1CCC(OC)N1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
The InChIKey is OCDUEGKIGHCMHH-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-13-9-8-12(14(17)20-2)16(13)15(18)21-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 10946293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).