3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C17H29N3O4 — CID 119256418

IUPAC3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C17H29N3O4/c1-12(2)9-18-16(24)19-7-4-5-13(10-19)14(21)20-8-6-17(3,11-20)15(22)23/h12-13H,4-11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyBVEOFFSVXOJXTO-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.39
Rot. Bonds4

About 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119256418) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119256418
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C17H29N3O4/c1-12(2)9-18-16(24)19-7-4-5-13(10-19)14(21)20-8-6-17(3,11-20)15(22)23/h12-13H,4-11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyBVEOFFSVXOJXTO-UHFFFAOYSA-N
XLogP1.39
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119594752
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
3-methyl-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529097
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119256418) is 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is CC(C)CNC(=O)N1CCCC(C(=O)N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BVEOFFSVXOJXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12(2)9-18-16(24)19-7-4-5-13(10-19)14(21)20-8-6-17(3,11-20)15(22)23/h12-13H,4-11H2,1-3H3,(H,18,24)(H,22,23).
What are the key properties of 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).