(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid

C17H19NO3 — CID 67243066

IUPAC(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
SMILESCOc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H19NO3/c1-11-9-14(21-2)7-8-15(11)13-5-3-12(4-6-13)10-16(18)17(19)20/h3-9,16H,10,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJEDSIOLFVAZSFT-INIZCTEOSA-N
MW285.34 g/mol
LogP2.63
Rot. Bonds5

About (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid

(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid (PubChem CID 67243066) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
PubChem CID67243066
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
SMILESCOc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H19NO3/c1-11-9-14(21-2)7-8-15(11)13-5-3-12(4-6-13)10-16(18)17(19)20/h3-9,16H,10,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJEDSIOLFVAZSFT-INIZCTEOSA-N
XLogP2.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
(2S)-2-amino-3-[4-(4-methoxy-2-pyridinyl)phenyl]propanoic acid
CID 172529534
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid (CID 67243066) is (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid is COc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)c(C)c1.
What is the InChIKey of (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid?
The InChIKey is JEDSIOLFVAZSFT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-14(21-2)7-8-15(11)13-5-3-12(4-6-13)10-16(18)17(19)20/h3-9,16H,10,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 67243066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).