5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid

C13H22N2O4 — CID 65493096

IUPAC5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCC(=O)N1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyABRBXXZGNUOPQF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.52
Rot. Bonds7

About 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid

5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65493096) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
PubChem CID65493096
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)C1CCC(=O)N1)CC(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyABRBXXZGNUOPQF-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid (CID 65493096) is 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid is CC(C)CC(CNC(=O)C1CCC(=O)N1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is ABRBXXZGNUOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)5-9(6-12(17)18)7-14-13(19)10-3-4-11(16)15-10/h8-10H,3-7H2,1-2H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid?
5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65493096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).