4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 63720250

IUPAC4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-5-8(2)10(4)14-13(18)15-6-9(3)11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyUUSPOLUDRMMVAG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.78
Rot. Bonds4

About 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63720250) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63720250
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC(C)C(C)NC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-5-8(2)10(4)14-13(18)15-6-9(3)11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyUUSPOLUDRMMVAG-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63720250) is 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is CCC(C)C(C)NC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UUSPOLUDRMMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-8(2)10(4)14-13(18)15-6-9(3)11(7-15)12(16)17/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).