(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid

C18H21NO4 — CID 143752223

IUPAC(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid
SMILESCc1cc(C[C@@H](N)C(=O)O)ccc1Oc1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H21NO4/c1-10-6-13(9-15(19)18(21)22)4-5-16(10)23-14-7-11(2)17(20)12(3)8-14/h4-8,15,20H,9,19H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySQKGWLBUTJEPGL-OAHLLOKOSA-N
MW315.37 g/mol
LogP3.06
Rot. Bonds5

About (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid

(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid (PubChem CID 143752223) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid
PubChem CID143752223
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid
SMILESCc1cc(C[C@@H](N)C(=O)O)ccc1Oc1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H21NO4/c1-10-6-13(9-15(19)18(21)22)4-5-16(10)23-14-7-11(2)17(20)12(3)8-14/h4-8,15,20H,9,19H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeySQKGWLBUTJEPGL-OAHLLOKOSA-N
XLogP3.06
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid with MolForge

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Related Compounds

2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143507424
(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143644599
2-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]acetic acid
CID 123385522
(2R)-2-amino-3-(3,4-dimethylphenyl)propanoic acid
CID 56845605
2-amino-3-[4-[4-[(4-hydroxy-2-oxo-3H-1,3-oxazol-5-yl)methyl]-2-methylphenoxy]phenyl]propanoic acid
CID 90859773
methyl 2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]propanoate
CID 144595583
2-amino-3-(3,4-dihydroxy-5-methylphenyl)propanoic acid
CID 75089325
sodium;2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3,5-dimethylphenyl]propanoate;ethane
CID 177339285
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
(2R)-2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]propanoic acid;ethane
CID 143752224
2-amino-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methylphenoxy]phenyl]propanoic acid
CID 10318792
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid (CID 143752223) is (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid is Cc1cc(C[C@@H](N)C(=O)O)ccc1Oc1cc(C)c(O)c(C)c1.
What is the InChIKey of (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid?
The InChIKey is SQKGWLBUTJEPGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO4/c1-10-6-13(9-15(19)18(21)22)4-5-16(10)23-14-7-11(2)17(20)12(3)8-14/h4-8,15,20H,9,19H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid?
(2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid has a molecular weight of 315.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-(4-hydroxy-3,5-dimethylphenoxy)-3-methylphenyl]propanoic acid is sourced from PubChem (CID 143752223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).