(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid

C9H15NO5 — CID 90904982

IUPAC(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)C[C@@H](OC)CN1C(=O)O
InChIInChI=1S/C9H15NO5/c1-3-9(7(11)12)4-6(15-2)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m1/s1
InChIKeyNHBXKHSRPHSQPL-HZGVNTEJSA-N
MW217.22 g/mol
LogP0.62
Rot. Bonds3

About (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid

(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid (PubChem CID 90904982) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid
PubChem CID90904982
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)C[C@@H](OC)CN1C(=O)O
InChIInChI=1S/C9H15NO5/c1-3-9(7(11)12)4-6(15-2)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m1/s1
InChIKeyNHBXKHSRPHSQPL-HZGVNTEJSA-N
XLogP0.62
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpyrrolidine-1,2-dicarboxylic acid
CID 67123094
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-(cyclohexylamino)ethyl]pyrrolidine-1,2-dicarboxylic acid
CID 69446341
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936
(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 125425165
(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 125425167
(2S,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 125425168
(4S)-4-fluoro-2-(2-oxoethyl)pyrrolidine-1,2-dicarboxylic acid
CID 91287750
[(4R)-2,2-diethyl-4-methoxypyrrolidin-1-yl]-[(5R)-7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 129141346
2-but-3-enyl-4-fluoropyrrolidine-1,2-dicarboxylic acid
CID 175894497
ethyl (2R,8R)-2-methoxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 170367901

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid (CID 90904982) is (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid is CC[C@]1(C(=O)O)C[C@@H](OC)CN1C(=O)O.
What is the InChIKey of (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid?
The InChIKey is NHBXKHSRPHSQPL-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H15NO5/c1-3-9(7(11)12)4-6(15-2)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 90904982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).