(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid

C8H13NO4 — CID 91369752

IUPAC(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-8(6(10)11)4-3-5-9(8)7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyYBQBMUORLGMZAR-MRVPVSSYSA-N
MW187.19 g/mol
LogP0.99
Rot. Bonds2

About (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid

(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 91369752) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
PubChem CID91369752
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C8H13NO4/c1-2-8(6(10)11)4-3-5-9(8)7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKeyYBQBMUORLGMZAR-MRVPVSSYSA-N
XLogP0.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-but-2-ynoyl-2-ethylpyrrolidine-2-carboxylic acid
CID 107986958
2-ethyl-1-[2-(ethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 83070348
2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
CID 68708136
2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070533
2-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070679

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid (CID 91369752) is (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid is CC[C@]1(C(=O)O)CCCN1C(=O)O.
What is the InChIKey of (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is YBQBMUORLGMZAR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-8(6(10)11)4-3-5-9(8)7(12)13/h2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid?
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 91369752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).