(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 104876902

IUPAC(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8-6-9(2)14(7-8)12(17)13-5-3-4-10(13)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1
InChIKeyRRFMAJFUCVWUOG-RTBKNWGFSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds1

About (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104876902) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104876902
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c1-8-6-9(2)14(7-8)12(17)13-5-3-4-10(13)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1
InChIKeyRRFMAJFUCVWUOG-RTBKNWGFSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 104876902) is (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CC(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RRFMAJFUCVWUOG-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-6-9(2)14(7-8)12(17)13-5-3-4-10(13)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).