1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C15H29N3O3 — CID 106978357

IUPAC1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C15H29N3O3/c1-6-8-15(12(19)20)9-7-10-18(15)13(21)16-11-14(2,3)17(4)5/h6-11H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyXHUMHZLMIIWUKT-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.76
Rot. Bonds6

About 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978357) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978357
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C15H29N3O3/c1-6-8-15(12(19)20)9-7-10-18(15)13(21)16-11-14(2,3)17(4)5/h6-11H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyXHUMHZLMIIWUKT-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-(3-methylsulfanylbutylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978589
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978357) is 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is XHUMHZLMIIWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-8-15(12(19)20)9-7-10-18(15)13(21)16-11-14(2,3)17(4)5/h6-11H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).