2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid

C17H27NO2 — CID 79268794

IUPAC2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid
SMILESCc1cc(C)c(C(C)N(CC(=O)O)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-11-8-12(2)16(13(3)9-11)14(4)18(10-15(19)20)17(5,6)7/h8-9,14H,10H2,1-7H3,(H,19,20)
InChIKeyOZNDZFWFSPWBFD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.86
Rot. Bonds4

About 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid

2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid (PubChem CID 79268794) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid
PubChem CID79268794
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid
SMILESCc1cc(C)c(C(C)N(CC(=O)O)C(C)(C)C)c(C)c1
InChIInChI=1S/C17H27NO2/c1-11-8-12(2)16(13(3)9-11)14(4)18(10-15(19)20)17(5,6)7/h8-9,14H,10H2,1-7H3,(H,19,20)
InChIKeyOZNDZFWFSPWBFD-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid (CID 79268794) is 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid is Cc1cc(C)c(C(C)N(CC(=O)O)C(C)(C)C)c(C)c1.
What is the InChIKey of 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid?
The InChIKey is OZNDZFWFSPWBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-8-12(2)16(13(3)9-11)14(4)18(10-15(19)20)17(5,6)7/h8-9,14H,10H2,1-7H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid?
2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid has a molecular weight of 277.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[1-(2,4,6-trimethylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 79268794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).