(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

C11H19NO3 — CID 78955955

IUPAC(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)8(3)10(13)12-6-4-5-9(12)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyTZYLTISYOSFTEK-YGPZHTELSA-N
MW213.28 g/mol
LogP1.35
Rot. Bonds3

About (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78955955) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78955955
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7(2)8(3)10(13)12-6-4-5-9(12)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyTZYLTISYOSFTEK-YGPZHTELSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-[(2S)-2-methyl-3-nitroso-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 174915963
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
1-[2-(2-chloroacetyl)pyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 142234365
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
1-[2-(aminomethyl)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 65227126
(2S)-1-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid (CID 78955955) is (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TZYLTISYOSFTEK-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)8(3)10(13)12-6-4-5-9(12)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).