3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

C20H23NO4 — CID 120701596

IUPAC3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C)cc1CC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-9-10-17(25-3)15(11-14)12-18(22)21-13-20(2,19(23)24)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyFBFASCDAHBLTTL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.70
Rot. Bonds7

About 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701596) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701596
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C)cc1CC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-9-10-17(25-3)15(11-14)12-18(22)21-13-20(2,19(23)24)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyFBFASCDAHBLTTL-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
3-(5-fluoro-2-methoxyphenyl)-2-methyl-2-phenylpropanoic acid
CID 82141893
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120701596) is 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is COc1ccc(C)cc1CC(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is FBFASCDAHBLTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-9-10-17(25-3)15(11-14)12-18(22)21-13-20(2,19(23)24)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).