2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid

C13H19NO3 — CID 151689905

IUPAC2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
SMILESCC(Cc1ccc(O)cc1)CC(C)(N)C(=O)O
InChIInChI=1S/C13H19NO3/c1-9(8-13(2,14)12(16)17)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,14H2,1-2H3,(H,16,17)
InChIKeyRCILYXVXPYKLQY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid

2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid (PubChem CID 151689905) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
PubChem CID151689905
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
SMILESCC(Cc1ccc(O)cc1)CC(C)(N)C(=O)O
InChIInChI=1S/C13H19NO3/c1-9(8-13(2,14)12(16)17)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,14H2,1-2H3,(H,16,17)
InChIKeyRCILYXVXPYKLQY-UHFFFAOYSA-N
XLogP1.76
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
CID 67671985
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581
2-aminopropan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 139681701
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-2-methylpropanoic acid
CID 76950010
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid (CID 151689905) is 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid is CC(Cc1ccc(O)cc1)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid?
The InChIKey is RCILYXVXPYKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(8-13(2,14)12(16)17)7-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid?
2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 151689905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).