dimethyl 4-aminopyrrolidine-1,3-dicarboxylate

C8H14N2O4 — CID 10130414

IUPACdimethyl 4-aminopyrrolidine-1,3-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC)CC1N
InChIInChI=1S/C8H14N2O4/c1-13-7(11)5-3-10(4-6(5)9)8(12)14-2/h5-6H,3-4,9H2,1-2H3
InChIKeyJTIBPMMZXWMLAV-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.82
Rot. Bonds1

About dimethyl 4-aminopyrrolidine-1,3-dicarboxylate

dimethyl 4-aminopyrrolidine-1,3-dicarboxylate (PubChem CID 10130414) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is dimethyl 4-aminopyrrolidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-aminopyrrolidine-1,3-dicarboxylate
PubChem CID10130414
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namedimethyl 4-aminopyrrolidine-1,3-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC)CC1N
InChIInChI=1S/C8H14N2O4/c1-13-7(11)5-3-10(4-6(5)9)8(12)14-2/h5-6H,3-4,9H2,1-2H3
InChIKeyJTIBPMMZXWMLAV-UHFFFAOYSA-N
XLogP-0.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-aminopyrrolidine-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-aminopyrrolidine-1,3-dicarboxylate (CID 10130414) is dimethyl 4-aminopyrrolidine-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-aminopyrrolidine-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-aminopyrrolidine-1,3-dicarboxylate is COC(=O)C1CN(C(=O)OC)CC1N.
What is the InChIKey of dimethyl 4-aminopyrrolidine-1,3-dicarboxylate?
The InChIKey is JTIBPMMZXWMLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-13-7(11)5-3-10(4-6(5)9)8(12)14-2/h5-6H,3-4,9H2,1-2H3.
What are the key properties of dimethyl 4-aminopyrrolidine-1,3-dicarboxylate?
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate has a molecular weight of 202.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-aminopyrrolidine-1,3-dicarboxylate is sourced from PubChem (CID 10130414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).