5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid

C15H22N4O3 — CID 166275565

IUPAC5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
SMILESCC(C)C1CC(C(=O)N2CCCC2c2n[nH]nc2C(=O)O)C1
InChIInChI=1S/C15H22N4O3/c1-8(2)9-6-10(7-9)14(20)19-5-3-4-11(19)12-13(15(21)22)17-18-16-12/h8-11H,3-7H2,1-2H3,(H,21,22)(H,16,17,18)
InChIKeyUDDBNJAUFKKHCO-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.85
Rot. Bonds4

About 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid

5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid (PubChem CID 166275565) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
PubChem CID166275565
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
SMILESCC(C)C1CC(C(=O)N2CCCC2c2n[nH]nc2C(=O)O)C1
InChIInChI=1S/C15H22N4O3/c1-8(2)9-6-10(7-9)14(20)19-5-3-4-11(19)12-13(15(21)22)17-18-16-12/h8-11H,3-7H2,1-2H3,(H,21,22)(H,16,17,18)
InChIKeyUDDBNJAUFKKHCO-UHFFFAOYSA-N
XLogP1.85
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 58958688
5-[1-(2-naphthalen-2-ylpropanoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 166275562
5-[1-[2-(2,4,6-trimethylphenyl)acetyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 166275553
5-[1-(2-chloro-4-methylsulfanylbenzoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
CID 166275564
5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
ethyl 5-[1-(6-oxaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 166269539
ethyl 5-[1-(butylcarbamoyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 167899419
ethyl 5-[1-[2-(3,5-dimethylphenyl)acetyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylate
CID 167926649
5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
CID 165464255
3-methyl-1-[4-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 126445130
[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 100743034
5-piperidin-4-yl-2H-triazole-4-carboxylic acid
CID 103123476

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid (CID 166275565) is 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid is CC(C)C1CC(C(=O)N2CCCC2c2n[nH]nc2C(=O)O)C1.
What is the InChIKey of 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid?
The InChIKey is UDDBNJAUFKKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-8(2)9-6-10(7-9)14(20)19-5-3-4-11(19)12-13(15(21)22)17-18-16-12/h8-11H,3-7H2,1-2H3,(H,21,22)(H,16,17,18).
What are the key properties of 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid?
5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-propan-2-ylcyclobutanecarbonyl)pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 166275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).