4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid

C21H25NO5 — CID 120703020

IUPAC4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
SMILESCOCCC(NC(=O)Cc1cccc(OCc2ccccc2C)c1)C(=O)O
InChIInChI=1S/C21H25NO5/c1-15-6-3-4-8-17(15)14-27-18-9-5-7-16(12-18)13-20(23)22-19(21(24)25)10-11-26-2/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXUAYNVMBXUMWHG-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.72
Rot. Bonds10

About 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid

4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid (PubChem CID 120703020) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
PubChem CID120703020
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
SMILESCOCCC(NC(=O)Cc1cccc(OCc2ccccc2C)c1)C(=O)O
InChIInChI=1S/C21H25NO5/c1-15-6-3-4-8-17(15)14-27-18-9-5-7-16(12-18)13-20(23)22-19(21(24)25)10-11-26-2/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyXUAYNVMBXUMWHG-UHFFFAOYSA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
CID 119405187
2-[[2-(2,5-dimethylphenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62539659
4-methoxy-2-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 62478591
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
(2R)-3-(1H-indol-3-yl)-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 51993170
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid (CID 120703020) is 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid is COCCC(NC(=O)Cc1cccc(OCc2ccccc2C)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid?
The InChIKey is XUAYNVMBXUMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-15-6-3-4-8-17(15)14-27-18-9-5-7-16(12-18)13-20(23)22-19(21(24)25)10-11-26-2/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid?
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid has a molecular weight of 371.43 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 120703020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).