dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate

C10H15NO5 — CID 139193121

IUPACdimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C(=O)OC)N1C(C)=O
InChIInChI=1S/C10H15NO5/c1-6(12)11-7(9(13)15-2)4-5-8(11)10(14)16-3/h7-8H,4-5H2,1-3H3/t7-,8+
InChIKeyAGPIKHCBGWQOGF-OCAPTIKFSA-N
MW229.23 g/mol
LogP-0.29
Rot. Bonds2

About dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate

dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate (PubChem CID 139193121) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate
PubChem CID139193121
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namedimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C(=O)OC)N1C(C)=O
InChIInChI=1S/C10H15NO5/c1-6(12)11-7(9(13)15-2)4-5-8(11)10(14)16-3/h7-8H,4-5H2,1-3H3/t7-,8+
InChIKeyAGPIKHCBGWQOGF-OCAPTIKFSA-N
XLogP-0.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-Ethyl 1-acetylpyrrolidine-2-carboxylate
CID 969011
Methyl (S)-1-(ethoxycarbonyl)pyrrolidine-2-carboxylate
CID 11084871
Methyl 1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
CID 22257828
Methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1,2-Dimethyl pyrrolidine-1,2-dicarboxylate
CID 13757329
methyl (2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carboxylate
CID 10921878
Methyl 5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylate
CID 67461794
4-fluoro-N-acetyl-l-proline methyl ester
CID 14428633
cis-Methyl 1-acetyl-4-fluoro-l-prolinate
CID 68784707
methyl (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 14754203
methyl (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 93039600
methyl (2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 101709488

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate?
The IUPAC name of dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate (CID 139193121) is dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate?
The canonical SMILES for dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate is COC(=O)[C@H]1CC[C@@H](C(=O)OC)N1C(C)=O.
What is the InChIKey of dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate?
The InChIKey is AGPIKHCBGWQOGF-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6(12)11-7(9(13)15-2)4-5-8(11)10(14)16-3/h7-8H,4-5H2,1-3H3/t7-,8+.
What are the key properties of dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate?
dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5S)-1-acetylpyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 139193121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).