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

C11H19NO4 — CID 14523837

IUPACdimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
SMILESCCC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC
InChIInChI=1S/C11H19NO4/c1-4-5-8-6-7-9(10(13)15-2)12(8)11(14)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyWGNKNRYZHKBSHT-IUCAKERBSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds3

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

dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate (PubChem CID 14523837) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
PubChem CID14523837
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namedimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
SMILESCCC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC
InChIInChI=1S/C11H19NO4/c1-4-5-8-6-7-9(10(13)15-2)12(8)11(14)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyWGNKNRYZHKBSHT-IUCAKERBSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
CID 150419156
1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
CID 59679477
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
1-O-tert-butyl 2-O-methyl 5-(3,3-difluoropropyl)pyrrolidine-1,2-dicarboxylate
CID 174321735
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
1-O-tert-butyl 2-O-methyl 5-(3-oxopropyl)pyrrolidine-1,2-dicarboxylate
CID 143043249
methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate
CID 89393988
2-[(2R,5S)-5-methoxycarbonyl-1-(3-methoxy-3-oxopropanoyl)pyrrolidin-2-yl]acetic acid
CID 162681176
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate
CID 155694850

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate (CID 14523837) is dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate is CCC[C@H]1CC[C@@H](C(=O)OC)N1C(=O)OC.
What is the InChIKey of dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate?
The InChIKey is WGNKNRYZHKBSHT-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-8-6-7-9(10(13)15-2)12(8)11(14)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate?
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 14523837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).