2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid

C11H21NO4 — CID 79265770

IUPAC2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
SMILESCCOCCC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-16-7-6-9(13)12(8-10(14)15)11(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyVUAAPXOZGAEZIL-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds6

About 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid

2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid (PubChem CID 79265770) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
PubChem CID79265770
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
SMILESCCOCCC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-16-7-6-9(13)12(8-10(14)15)11(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyVUAAPXOZGAEZIL-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid (CID 79265770) is 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid is CCOCCC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid?
The InChIKey is VUAAPXOZGAEZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-16-7-6-9(13)12(8-10(14)15)11(2,3)4/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid?
2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid is sourced from PubChem (CID 79265770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).