4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate

C14H23NO6 — CID 72737158

IUPAC4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](C(=O)OC)N[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO6/c1-5-19-12(16)8-6-9(13(17)18-4)15-11(8)10-7-20-14(2,3)21-10/h8-11,15H,5-7H2,1-4H3/t8-,9+,10-,11-/m1/s1
InChIKeyDHNJFYYSUXAIIW-LMLFDSFASA-N
MW301.34 g/mol
LogP0.22
Rot. Bonds4

About 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate

4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate (PubChem CID 72737158) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate
PubChem CID72737158
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](C(=O)OC)N[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H23NO6/c1-5-19-12(16)8-6-9(13(17)18-4)15-11(8)10-7-20-14(2,3)21-10/h8-11,15H,5-7H2,1-4H3/t8-,9+,10-,11-/m1/s1
InChIKeyDHNJFYYSUXAIIW-LMLFDSFASA-N
XLogP0.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-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

2-O-methyl 4-O-phenyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrrolidine-2,4-dicarboxylate
CID 102229696
cis-ethyl (1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclohexane-1-carboxylate
CID 10377713
1-O-ethyl 2-O-methyl (2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-1,2-dicarboxylate
CID 12013745
4-O-ethyl 2-O-methyl (2R,4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2,4-dicarboxylate
CID 139092974
ethyl (3S,4S,5S,6R,7S)-6-methoxy-9,9-dimethyl-2,8,10-trioxatricyclo[5.4.0.03,5]undecane-4-carboxylate
CID 70353326
methyl (4S,5S)-5-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 154706321
methyl (4R,5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 156595132
ethyl (E)-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10935474
methyl (1S,2S,3S,4R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 51014980
ethyl (4R,5R)-2,2-dimethyl-4-pentyl-1,3-dioxane-5-carboxylate
CID 10988967
2-O-ethyl 4-O-methyl (2S,4S,5R)-5-(4-methylphenyl)pyrrolidine-2,4-dicarboxylate
CID 102082922
ethyl 3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 11088377

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate (CID 72737158) is 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate is CCOC(=O)[C@@H]1C[C@@H](C(=O)OC)N[C@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate?
The InChIKey is DHNJFYYSUXAIIW-LMLFDSFASA-N. The full InChI is InChI=1S/C14H23NO6/c1-5-19-12(16)8-6-9(13(17)18-4)15-11(8)10-7-20-14(2,3)21-10/h8-11,15H,5-7H2,1-4H3/t8-,9+,10-,11-/m1/s1.
What are the key properties of 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate?
4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate has a molecular weight of 301.34 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-methyl (2S,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 72737158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).