(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid

C11H15NO3 — CID 18394844

IUPAC(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(CC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-3,5-6,10H,4,7,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyJADFNIWVWZWOFA-SNVBAGLBSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid

(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid (PubChem CID 18394844) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
PubChem CID18394844
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(CC[C@@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-3,5-6,10H,4,7,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyJADFNIWVWZWOFA-SNVBAGLBSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2S)-2-aminopentanedioic acid;2-(4-methoxyphenyl)ethanamine
CID 3045698
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
(2S)-2-amino-4-(4-phosphonooxyphenyl)butanoic acid
CID 163481333
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
CID 7009563
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
CID 134819868
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid (CID 18394844) is (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid is COc1ccc(CC[C@@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is JADFNIWVWZWOFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-3,5-6,10H,4,7,12H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid?
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 18394844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).