dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate

C10H15NO5 — CID 101099921

IUPACdimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate
SMILESCCOC1=NC[C@H](C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-4-16-8-7(10(13)15-3)6(5-11-8)9(12)14-2/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyCOISWJRFNVHJOJ-NKWVEPMBSA-N
MW229.23 g/mol
LogP0.01
Rot. Bonds3

About dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate

dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate (PubChem CID 101099921) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate
PubChem CID101099921
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namedimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate
SMILESCCOC1=NC[C@H](C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-4-16-8-7(10(13)15-3)6(5-11-8)9(12)14-2/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyCOISWJRFNVHJOJ-NKWVEPMBSA-N
XLogP0.01
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate (CID 101099921) is dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate is CCOC1=NC[C@H](C(=O)OC)[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate?
The InChIKey is COISWJRFNVHJOJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H15NO5/c1-4-16-8-7(10(13)15-3)6(5-11-8)9(12)14-2/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate?
dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,4R)-5-ethoxy-3,4-dihydro-2H-pyrrole-3,4-dicarboxylate is sourced from PubChem (CID 101099921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).