dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate

C9H15NO4 — CID 102306290

IUPACdimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CCN[C@@]1(C)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-9(8(12)14-3)6(4-5-10-9)7(11)13-2/h6,10H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKeyJLHHIYCFAXTBJO-IMTBSYHQSA-N
MW201.22 g/mol
LogP-0.30
Rot. Bonds2

About dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate

dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate (PubChem CID 102306290) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate
PubChem CID102306290
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate
SMILESCOC(=O)[C@@H]1CCN[C@@]1(C)C(=O)OC
InChIInChI=1S/C9H15NO4/c1-9(8(12)14-3)6(4-5-10-9)7(11)13-2/h6,10H,4-5H2,1-3H3/t6-,9+/m0/s1
InChIKeyJLHHIYCFAXTBJO-IMTBSYHQSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
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CID 115269382
methyl (1R)-2,2-dimethyl-3-oxocyclopentane-1-carboxylate
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methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
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CID 124705910

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate?
The IUPAC name of dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate (CID 102306290) is dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate is COC(=O)[C@@H]1CCN[C@@]1(C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate?
The InChIKey is JLHHIYCFAXTBJO-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(8(12)14-3)6(4-5-10-9)7(11)13-2/h6,10H,4-5H2,1-3H3/t6-,9+/m0/s1.
What are the key properties of dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate?
dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate is sourced from PubChem (CID 102306290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).