2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid

C13H19NO3 — CID 114990394

IUPAC2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
SMILESCC(CCc1ccccc1)(NCCO)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(12(16)17,14-9-10-15)8-7-11-5-3-2-4-6-11/h2-6,14-15H,7-10H2,1H3,(H,16,17)
InChIKeySHIFACKPSQZTSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds7

About 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid

2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid (PubChem CID 114990394) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
PubChem CID114990394
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
SMILESCC(CCc1ccccc1)(NCCO)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(12(16)17,14-9-10-15)8-7-11-5-3-2-4-6-11/h2-6,14-15H,7-10H2,1H3,(H,16,17)
InChIKeySHIFACKPSQZTSW-UHFFFAOYSA-N
XLogP1.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
CID 55084268
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61340673
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
methyl 4-[3-(2-hydroxyethylamino)-3-methylbutyl]benzoate
CID 70592976
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid (CID 114990394) is 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid is CC(CCc1ccccc1)(NCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid?
The InChIKey is SHIFACKPSQZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(12(16)17,14-9-10-15)8-7-11-5-3-2-4-6-11/h2-6,14-15H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid?
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid is sourced from PubChem (CID 114990394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).