2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 83071134

IUPAC2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC(C)CN(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11(3)10-15(4)13(19)16-9-7-8-14(16,6-2)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyXOFOJWLPJZQLSK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds5

About 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83071134) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83071134
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC(C)CN(C)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-11(3)10-15(4)13(19)16-9-7-8-14(16,6-2)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyXOFOJWLPJZQLSK-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83071134) is 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC(C)CN(C)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XOFOJWLPJZQLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11(3)10-15(4)13(19)16-9-7-8-14(16,6-2)12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).