2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid

C15H23NO3 — CID 82217025

IUPAC2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
SMILESCC(C)Cc1ccc(C(O)CN(C)CC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)8-12-4-6-13(7-5-12)14(17)9-16(3)10-15(18)19/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyLPLREEYDUJAFOY-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.93
Rot. Bonds7

About 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid

2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid (PubChem CID 82217025) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
PubChem CID82217025
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
SMILESCC(C)Cc1ccc(C(O)CN(C)CC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)8-12-4-6-13(7-5-12)14(17)9-16(3)10-15(18)19/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyLPLREEYDUJAFOY-UHFFFAOYSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
2-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]-methylamino]acetic acid
CID 82216044
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
1-(dimethylamino)ethanol;2-[4-(2-methylpropyl)phenyl]propanoic acid;hydrochloride
CID 70389408
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid (CID 82217025) is 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid is CC(C)Cc1ccc(C(O)CN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid?
The InChIKey is LPLREEYDUJAFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)8-12-4-6-13(7-5-12)14(17)9-16(3)10-15(18)19/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid?
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid is sourced from PubChem (CID 82217025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).