3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate

C9H15NO4 — CID 141137561

IUPAC3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CNCC1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)7-5-10-4-6(7)8(11)13-2/h6-7,10H,3-5H2,1-2H3
InChIKeyPYDKCWICPNNVPF-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.44
Rot. Bonds3

About 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate

3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate (PubChem CID 141137561) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
PubChem CID141137561
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CNCC1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)7-5-10-4-6(7)8(11)13-2/h6-7,10H,3-5H2,1-2H3
InChIKeyPYDKCWICPNNVPF-UHFFFAOYSA-N
XLogP-0.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R,4R)-4-methoxypyrrolidine-3-carboxylate
CID 167739334
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
methyl 4-pentan-3-ylpyrrolidine-3-carboxylate
CID 114486579
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
3-O-methyl 4-O-prop-2-enyl (3R,4R)-piperidine-3,4-dicarboxylate
CID 66953049
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate (CID 141137561) is 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate is CCOC(=O)C1CNCC1C(=O)OC.
What is the InChIKey of 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate?
The InChIKey is PYDKCWICPNNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-14-9(12)7-5-10-4-6(7)8(11)13-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate?
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate is sourced from PubChem (CID 141137561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).