2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid

C17H27NO2 — CID 79269645

IUPAC2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
SMILESCC(C)(C)c1ccc(CN(CC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-16(2,3)14-9-7-13(8-10-14)11-18(12-15(19)20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20)
InChIKeyHJYSUKUJSVJNIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds4

About 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid

2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid (PubChem CID 79269645) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
PubChem CID79269645
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
SMILESCC(C)(C)c1ccc(CN(CC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-16(2,3)14-9-7-13(8-10-14)11-18(12-15(19)20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20)
InChIKeyHJYSUKUJSVJNIN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid
CID 79268616
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
2-[tert-butyl-[(3-cyanophenyl)methyl]amino]acetic acid
CID 79268938
2-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]acetic acid
CID 39424492
3-[tert-butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 54925531
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[tert-butyl-[(5-chloro-2-hydroxyphenyl)methyl]amino]acetic acid
CID 79269154
2-[(5-bromo-2-hydroxyphenyl)methyl-tert-butylamino]acetic acid
CID 107740168
2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
CID 79269061
3-[(4-acetamidophenyl)methyl-tert-butylamino]propanoic acid
CID 65058574

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid (CID 79269645) is 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid is CC(C)(C)c1ccc(CN(CC(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid?
The InChIKey is HJYSUKUJSVJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)14-9-7-13(8-10-14)11-18(12-15(19)20)17(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid?
2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid has a molecular weight of 277.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 79269645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).