diethyl pyrrolidine-2,2-dicarboxylate

C10H17NO4 — CID 12524347

IUPACdiethyl pyrrolidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCN1
InChIInChI=1S/C10H17NO4/c1-3-14-8(12)10(6-5-7-11-10)9(13)15-4-2/h11H,3-7H2,1-2H3
InChIKeyDHWOXCBGAJCELU-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.23
Rot. Bonds4

About diethyl pyrrolidine-2,2-dicarboxylate

diethyl pyrrolidine-2,2-dicarboxylate (PubChem CID 12524347) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl pyrrolidine-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl pyrrolidine-2,2-dicarboxylate
PubChem CID12524347
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl pyrrolidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCN1
InChIInChI=1S/C10H17NO4/c1-3-14-8(12)10(6-5-7-11-10)9(13)15-4-2/h11H,3-7H2,1-2H3
InChIKeyDHWOXCBGAJCELU-UHFFFAOYSA-N
XLogP0.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 57516455
Methyl 2-methylpyrrolidine-2-carboxylate
CID 13595679
Tert-butyl 2-methylpyrrolidine-2-carboxylate
CID 13822996
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
methyl (2R)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 71306205
Methyl 2-methylpyrrolidine-2-carboxylate hydrochloride
CID 75366841
Methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate hydrochloride
CID 139011769
(S)-Methyl 2-methylpyrrolidine-2-carboxylate
CID 10535362
Methyl 2-propylpyrrolidine-2-carboxylate
CID 77884787
2-(Methoxymethyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 119031719
Methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate hydrochloride
CID 122164387
Tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
CID 134691185

Frequently Asked Questions

What is the IUPAC name of diethyl pyrrolidine-2,2-dicarboxylate?
The IUPAC name of diethyl pyrrolidine-2,2-dicarboxylate (CID 12524347) is diethyl pyrrolidine-2,2-dicarboxylate.
What is the SMILES notation for diethyl pyrrolidine-2,2-dicarboxylate?
The canonical SMILES for diethyl pyrrolidine-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCN1.
What is the InChIKey of diethyl pyrrolidine-2,2-dicarboxylate?
The InChIKey is DHWOXCBGAJCELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-8(12)10(6-5-7-11-10)9(13)15-4-2/h11H,3-7H2,1-2H3.
What are the key properties of diethyl pyrrolidine-2,2-dicarboxylate?
diethyl pyrrolidine-2,2-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl pyrrolidine-2,2-dicarboxylate is sourced from PubChem (CID 12524347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).