1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate

C12H21NO5 — CID 91725937

IUPAC1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)OCCOC
InChIInChI=1S/C12H21NO5/c1-3-7-17-11(14)10-5-4-6-13(10)12(15)18-9-8-16-2/h10H,3-9H2,1-2H3
InChIKeyXUCPAXFEQDWMOM-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.19
Rot. Bonds6

About 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate

1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate (PubChem CID 91725937) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate
PubChem CID91725937
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)OCCOC
InChIInChI=1S/C12H21NO5/c1-3-7-17-11(14)10-5-4-6-13(10)12(15)18-9-8-16-2/h10H,3-9H2,1-2H3
InChIKeyXUCPAXFEQDWMOM-UHFFFAOYSA-N
XLogP1.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-(2-methoxyethyl) 2-O-octadecyl pyrrolidine-1,2-dicarboxylate
CID 91725946
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
1-O-propyl 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837169
propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
CID 20709685
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
2-O-hexyl 1-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20836886
pentyl 1-[1-(2-chloroethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91726883
2-O-dodecyl 1-O-(2-methylpropyl) pyrrolidine-1,2-dicarboxylate
CID 6424623
2-O-octyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
CID 6424266
1-O-(2-methylpropyl) 2-O-octadecyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837289

Frequently Asked Questions

What is the IUPAC name of 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate (CID 91725937) is 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate is CCCOC(=O)C1CCCN1C(=O)OCCOC.
What is the InChIKey of 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate?
The InChIKey is XUCPAXFEQDWMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-7-17-11(14)10-5-4-6-13(10)12(15)18-9-8-16-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate?
1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 91725937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).