3-methyl-3-(2-methylbutanoylamino)pentanoic acid

C11H21NO3 — CID 84589310

IUPAC3-methyl-3-(2-methylbutanoylamino)pentanoic acid
SMILESCCC(C)C(=O)NC(C)(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(3)10(15)12-11(4,6-2)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyQXZUARYVSUERGZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds6

About 3-methyl-3-(2-methylbutanoylamino)pentanoic acid

3-methyl-3-(2-methylbutanoylamino)pentanoic acid (PubChem CID 84589310) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-3-(2-methylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-3-(2-methylbutanoylamino)pentanoic acid
PubChem CID84589310
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-3-(2-methylbutanoylamino)pentanoic acid
SMILESCCC(C)C(=O)NC(C)(CC)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(3)10(15)12-11(4,6-2)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyQXZUARYVSUERGZ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylbutanoylamino)pentanoic acid?
The IUPAC name of 3-methyl-3-(2-methylbutanoylamino)pentanoic acid (CID 84589310) is 3-methyl-3-(2-methylbutanoylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-3-(2-methylbutanoylamino)pentanoic acid?
The canonical SMILES for 3-methyl-3-(2-methylbutanoylamino)pentanoic acid is CCC(C)C(=O)NC(C)(CC)CC(=O)O.
What is the InChIKey of 3-methyl-3-(2-methylbutanoylamino)pentanoic acid?
The InChIKey is QXZUARYVSUERGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(3)10(15)12-11(4,6-2)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-3-(2-methylbutanoylamino)pentanoic acid?
3-methyl-3-(2-methylbutanoylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylbutanoylamino)pentanoic acid is sourced from PubChem (CID 84589310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).