dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate

C10H17NO4 — CID 45095201

IUPACdimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate
SMILESCCC1CC[C@@H](C(=O)OC)N1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-4-7-5-6-8(9(12)14-2)11(7)10(13)15-3/h7-8H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyYEJXABWWMVKSDR-MQWKRIRWSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds2

About dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate

dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate (PubChem CID 45095201) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate
PubChem CID45095201
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namedimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate
SMILESCCC1CC[C@@H](C(=O)OC)N1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-4-7-5-6-8(9(12)14-2)11(7)10(13)15-3/h7-8H,4-6H2,1-3H3/t7?,8-/m0/s1
InChIKeyYEJXABWWMVKSDR-MQWKRIRWSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate (CID 45095201) is dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate is CCC1CC[C@@H](C(=O)OC)N1C(=O)OC.
What is the InChIKey of dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate?
The InChIKey is YEJXABWWMVKSDR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-7-5-6-8(9(12)14-2)11(7)10(13)15-3/h7-8H,4-6H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate?
dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-5-ethylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 45095201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).