3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid

C20H23NO4 — CID 119362771

IUPAC3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
SMILESCc1cccc(COc2cccc(CC(=O)N(C)CCC(=O)O)c2)c1
InChIInChI=1S/C20H23NO4/c1-15-5-3-7-17(11-15)14-25-18-8-4-6-16(12-18)13-19(22)21(2)10-9-20(23)24/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyKUJYBXUQSMWLAV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.05
Rot. Bonds8

About 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid

3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid (PubChem CID 119362771) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
PubChem CID119362771
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid
SMILESCc1cccc(COc2cccc(CC(=O)N(C)CCC(=O)O)c2)c1
InChIInChI=1S/C20H23NO4/c1-15-5-3-7-17(11-15)14-25-18-8-4-6-16(12-18)13-19(22)21(2)10-9-20(23)24/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,24)
InChIKeyKUJYBXUQSMWLAV-UHFFFAOYSA-N
XLogP3.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid (CID 119362771) is 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid is Cc1cccc(COc2cccc(CC(=O)N(C)CCC(=O)O)c2)c1.
What is the InChIKey of 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid?
The InChIKey is KUJYBXUQSMWLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-5-3-7-17(11-15)14-25-18-8-4-6-16(12-18)13-19(22)21(2)10-9-20(23)24/h3-8,11-12H,9-10,13-14H2,1-2H3,(H,23,24).
What are the key properties of 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid?
3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[3-[(3-methylphenyl)methoxy]phenyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 119362771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).