2-(3-ethylpentanoylamino)-2-methylpropanoic acid

C11H21NO3 — CID 120516010

IUPAC2-(3-ethylpentanoylamino)-2-methylpropanoic acid
SMILESCCC(CC)CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(6-2)7-9(13)12-11(3,4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyDLWLAVNZADEEDJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds6

About 2-(3-ethylpentanoylamino)-2-methylpropanoic acid

2-(3-ethylpentanoylamino)-2-methylpropanoic acid (PubChem CID 120516010) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(3-ethylpentanoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-ethylpentanoylamino)-2-methylpropanoic acid
PubChem CID120516010
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(3-ethylpentanoylamino)-2-methylpropanoic acid
SMILESCCC(CC)CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-8(6-2)7-9(13)12-11(3,4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyDLWLAVNZADEEDJ-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 2-(3-ethylpentanoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(3-ethylpentanoylamino)-2-methylpropanoic acid (CID 120516010) is 2-(3-ethylpentanoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-ethylpentanoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-ethylpentanoylamino)-2-methylpropanoic acid is CCC(CC)CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-(3-ethylpentanoylamino)-2-methylpropanoic acid?
The InChIKey is DLWLAVNZADEEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(6-2)7-9(13)12-11(3,4)10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3-ethylpentanoylamino)-2-methylpropanoic acid?
2-(3-ethylpentanoylamino)-2-methylpropanoic 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 2-(3-ethylpentanoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 120516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).