(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H17N3O3 — CID 78922561

IUPAC(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8(6-12)7-13(2)11(17)14-5-3-4-9(14)10(15)16/h8-9H,3-5,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyQWLXLZYJIGUELF-YGPZHTELSA-N
MW239.27 g/mol
LogP0.75
Rot. Bonds3

About (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922561) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922561
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8(6-12)7-13(2)11(17)14-5-3-4-9(14)10(15)16/h8-9H,3-5,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyQWLXLZYJIGUELF-YGPZHTELSA-N
XLogP0.75
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
(2R,4R)-1-[2-cyanopropyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999987
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78967840
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78922561) is (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(C#N)CN(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QWLXLZYJIGUELF-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(6-12)7-13(2)11(17)14-5-3-4-9(14)10(15)16/h8-9H,3-5,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).