dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate

C17H23NO4 — CID 10494793

IUPACdimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@@]1(C)CC[C@](C)(C(=O)OC)N1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-16(14(19)21-3)10-11-17(2,15(20)22-4)18(16)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyWOSXQHVGLWJNOA-IAGOWNOFSA-N
MW305.37 g/mol
LogP2.15
Rot. Bonds4

About dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate

dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate (PubChem CID 10494793) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
PubChem CID10494793
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namedimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@@]1(C)CC[C@](C)(C(=O)OC)N1Cc1ccccc1
InChIInChI=1S/C17H23NO4/c1-16(14(19)21-3)10-11-17(2,15(20)22-4)18(16)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyWOSXQHVGLWJNOA-IAGOWNOFSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
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1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
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1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
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methyl (3S,4S)-1-benzyl-3,4-dimethylpyrrolidine-3-carboxylate
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dimethyl 11-benzyl-14-oxa-11-azapentacyclo[6.5.1.02,7.09,13.010,12]tetradeca-2,4,6-triene-10,12-dicarboxylate
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tetramethyl (2R,3R,4S,5R,12S,13R,14S,15S,17R,18R,19S,20R,27S,28R,29S,30S)-32,34-dibenzyl-31,33,35-trioxa-32,34-diazadodecacyclo[14.14.1.13,14.15,12.118,29.120,27.02,15.04,13.06,11.017,30.019,28.021,26]pentatriaconta-6,8,10,21,23,25-hexaene-3,14,18,29-tetracarboxylate
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methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate?
The IUPAC name of dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate (CID 10494793) is dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate?
The canonical SMILES for dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate is COC(=O)[C@@]1(C)CC[C@](C)(C(=O)OC)N1Cc1ccccc1.
What is the InChIKey of dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate?
The InChIKey is WOSXQHVGLWJNOA-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(14(19)21-3)10-11-17(2,15(20)22-4)18(16)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate?
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 10494793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).