3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid

C16H23NO4 — CID 60826322

IUPAC3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccccc1CC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)17(10-9-15(19)20)14(18)11-12-7-5-6-8-13(12)21-4/h5-8H,9-11H2,1-4H3,(H,19,20)
InChIKeyUJHZHTWTTPADOW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds6

About 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid

3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 60826322) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
PubChem CID60826322
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccccc1CC(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-16(2,3)17(10-9-15(19)20)14(18)11-12-7-5-6-8-13(12)21-4/h5-8H,9-11H2,1-4H3,(H,19,20)
InChIKeyUJHZHTWTTPADOW-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 60826805
3-[tert-butyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434948
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
3-[tert-butyl(3-phenylsulfanylpropanoyl)amino]propanoic acid
CID 60826967
4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]butanoic acid
CID 119173438
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
7-(2-methoxyphenyl)heptanoic acid
CID 59451681

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (CID 60826322) is 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid is COc1ccccc1CC(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is UJHZHTWTTPADOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)17(10-9-15(19)20)14(18)11-12-7-5-6-8-13(12)21-4/h5-8H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 60826322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).