(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid

C7H13NO2 — CID 68644523

IUPAC(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1N[C@@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-3-6(7(9)10)8-5(4)2/h4-6,8H,3H2,1-2H3,(H,9,10)/t4-,5-,6+/m0/s1
InChIKeyKXOFWLUIYMOGME-HCWXCVPCSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds1

About (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid

(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 68644523) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
PubChem CID68644523
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1N[C@@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-4-3-6(7(9)10)8-5(4)2/h4-6,8H,3H2,1-2H3,(H,9,10)/t4-,5-,6+/m0/s1
InChIKeyKXOFWLUIYMOGME-HCWXCVPCSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid (CID 68644523) is (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid is C[C@@H]1N[C@@H](C(=O)O)C[C@@H]1C.
What is the InChIKey of (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is KXOFWLUIYMOGME-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-3-6(7(9)10)8-5(4)2/h4-6,8H,3H2,1-2H3,(H,9,10)/t4-,5-,6+/m0/s1.
What are the key properties of (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid?
(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68644523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).