3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

C19H21NO4 — CID 120700989

IUPAC3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccccc1CC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(18(22)23,15-9-4-3-5-10-15)13-20-17(21)12-14-8-6-7-11-16(14)24-2/h3-11H,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKTXGKKKTEDWYKR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.40
Rot. Bonds7

About 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120700989) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120700989
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccccc1CC(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(18(22)23,15-9-4-3-5-10-15)13-20-17(21)12-14-8-6-7-11-16(14)24-2/h3-11H,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyKTXGKKKTEDWYKR-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120700989) is 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is COc1ccccc1CC(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is KTXGKKKTEDWYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(18(22)23,15-9-4-3-5-10-15)13-20-17(21)12-14-8-6-7-11-16(14)24-2/h3-11H,12-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).