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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl-N-methyl-L-alanine
CID 825998
2-[[4-(Dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid
CID 68632816
(2R)-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138606928
Benzyl-(carboxymethyl)-dimethylazanium chloride
CID 44305460
2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid
CID 44473508
Glycine, N-(carboxymethyl)-N-[(4-ethenylphenyl)methyl]-
CID 172564
benzylamine, N,N-bis(2-hydroxyethyl)-2,4,6-trimethyl-
CID 62550784
2-[(2R)-2-methyl-4-[(R)-(3-methylphenyl)-phenylmethyl]piperazin-1-yl]acetic acid
CID 25063410
2-[(2R)-2-methyl-4-[(R)-[4-(3-methylphenyl)phenyl]-phenylmethyl]piperazin-1-yl]acetic acid
CID 25063491
N-Methyl-N-(4-methylbenzyl)glycine hydrochloride
CID 75530890
2-[Carboxymethyl(1-phenylprop-2-enyl)amino]acetic acid
CID 19937066
2-[[3-[[Bis(carboxymethyl)amino]methyl]phenyl]methyl-(carboxymethyl)amino]acetic acid
CID 70183422

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).