4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid

C19H23NO5 — CID 67568099

IUPAC4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(N)CC(C(=O)O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO5/c1-23-13-6-4-12(5-7-13)17(20)11-16(19(21)22)15-9-8-14(24-2)10-18(15)25-3/h4-10,16-17H,11,20H2,1-3H3,(H,21,22)
InChIKeyYZYPYAFVCPUMSE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.97
Rot. Bonds8

About 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid

4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid (PubChem CID 67568099) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
PubChem CID67568099
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(N)CC(C(=O)O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO5/c1-23-13-6-4-12(5-7-13)17(20)11-16(19(21)22)15-9-8-14(24-2)10-18(15)25-3/h4-10,16-17H,11,20H2,1-3H3,(H,21,22)
InChIKeyYZYPYAFVCPUMSE-UHFFFAOYSA-N
XLogP2.97
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
2-(2-methoxy-4-propan-2-ylphenyl)-4-methylpentanoic acid
CID 112519602
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
CID 69271867

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid?
The IUPAC name of 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid (CID 67568099) is 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid is COc1ccc(C(N)CC(C(=O)O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid?
The InChIKey is YZYPYAFVCPUMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-23-13-6-4-12(5-7-13)17(20)11-16(19(21)22)15-9-8-14(24-2)10-18(15)25-3/h4-10,16-17H,11,20H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid?
4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 67568099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).