2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 83144196

IUPAC2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1CCCC1(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(13(2,3)4)9-15-12(19)16-8-6-7-14(16,5)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyGGDAOTAADICKDB-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds3

About 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83144196) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83144196
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(CNC(=O)N1CCCC1(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(13(2,3)4)9-15-12(19)16-8-6-7-14(16,5)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyGGDAOTAADICKDB-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83144196) is 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(CNC(=O)N1CCCC1(C)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GGDAOTAADICKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(13(2,3)4)9-15-12(19)16-8-6-7-14(16,5)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83144196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).