(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H23N3O3 — CID 78922567

IUPAC(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-14(2)8-4-3-7-13-12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyLENRFTKWLSVLEO-SNVBAGLBSA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds6

About (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922567) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922567
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)CCCCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-14(2)8-4-3-7-13-12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyLENRFTKWLSVLEO-SNVBAGLBSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2S)-1-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55097694
(2S)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78967793
(2R)-1-[2-(diethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55149866
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 103995479
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[2-[cyclopropyl(ethyl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363870
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 78922567) is (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid is CN(C)CCCCNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LENRFTKWLSVLEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(2)8-4-3-7-13-12(18)15-9-5-6-10(15)11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).