(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

C9H15NO3 — CID 42256403

IUPAC(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyWKQUFVTUGGLNNO-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 42256403) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID42256403
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyWKQUFVTUGGLNNO-SSDOTTSWSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44093
N-Acetyl-L-proline
CID 66141
Epicaptopril
CID 688267
L-Alanyl-L-proline
CID 83525
Gpi-1485
CID 9837656
N-Methyl-L-proline
CID 643474
N-acetyl-D-proline
CID 719436
Leu-Pro
CID 80817
N,N-Dimethylproline
CID 448301
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
CID 85083
Ile-Pro
CID 444876
Lauroyl Proline
CID 10108670

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (CID 42256403) is (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WKQUFVTUGGLNNO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 42256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).