(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid

C7H13NO2 — CID 54406408

IUPAC(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid
SMILESCC[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyVQZWJPSIXQCRTF-RITPCOANSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds2

About (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid

(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid (PubChem CID 54406408) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid
PubChem CID54406408
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid
SMILESCC[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyVQZWJPSIXQCRTF-RITPCOANSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid (CID 54406408) is (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid is CC[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is VQZWJPSIXQCRTF-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54406408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).