(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H23N3O4 — CID 78922691

IUPAC(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-7-15(9-11(17)14(2)3)13(20)16-8-5-6-10(16)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyKGDJINYDFDTELF-SNVBAGLBSA-N
MW285.34 g/mol
LogP0.46
Rot. Bonds5

About (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922691) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922691
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H23N3O4/c1-4-7-15(9-11(17)14(2)3)13(20)16-8-5-6-10(16)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyKGDJINYDFDTELF-SNVBAGLBSA-N
XLogP0.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2S)-1-[cyclopropylmethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61443079
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(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
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70464697

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 78922691) is (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid is CCCN(CC(=O)N(C)C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KGDJINYDFDTELF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-7-15(9-11(17)14(2)3)13(20)16-8-5-6-10(16)12(18)19/h10H,4-9H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).