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

C16H25NO3 — CID 39379496

IUPAC2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)14-7-5-13(6-8-14)11-17(9-10-20-4)12-15(18)19/h5-8H,9-12H2,1-4H3,(H,18,19)
InChIKeyXGTOKCLTLQIHEC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.52
Rot. Bonds7

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

2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 39379496) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID39379496
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-16(2,3)14-7-5-13(6-8-14)11-17(9-10-20-4)12-15(18)19/h5-8H,9-12H2,1-4H3,(H,18,19)
InChIKeyXGTOKCLTLQIHEC-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 60504028
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid (CID 39379496) is 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is XGTOKCLTLQIHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,3)14-7-5-13(6-8-14)11-17(9-10-20-4)12-15(18)19/h5-8H,9-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 39379496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).