2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid

C15H23NO3 — CID 82216044

IUPAC2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)12-7-5-11(6-8-12)13(17)9-16(4)10-14(18)19/h5-8,13,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyKXDYDJVSGPTVKH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.03
Rot. Bonds5

About 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid

2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid (PubChem CID 82216044) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
PubChem CID82216044
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)CC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)12-7-5-11(6-8-12)13(17)9-16(4)10-14(18)19/h5-8,13,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyKXDYDJVSGPTVKH-UHFFFAOYSA-N
XLogP2.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
CID 82217025
1-(4-tert-butylphenyl)-2-[methyl(pentyl)amino]ethanol
CID 63472288
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
CID 63471529
4-(4-tert-butylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65298089
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-[[2-(4-tert-butylphenyl)-2-oxoacetyl]-methylamino]acetic acid
CID 167923178
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid (CID 82216044) is 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid is CN(CC(=O)O)CC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid?
The InChIKey is KXDYDJVSGPTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)12-7-5-11(6-8-12)13(17)9-16(4)10-14(18)19/h5-8,13,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid?
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid is sourced from PubChem (CID 82216044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).