3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid

C19H21NO3 — CID 120701661

IUPAC3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCCc1ccccc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-14-9-7-8-12-16(14)17(21)20-13-19(2,18(22)23)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyHETCSJVANDGXDL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.02
Rot. Bonds6

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

3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701661) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701661
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCCc1ccccc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-14-9-7-8-12-16(14)17(21)20-13-19(2,18(22)23)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyHETCSJVANDGXDL-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 126778215
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701392
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
3-(3-ethylpentanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701007

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701661) is 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid is CCc1ccccc1C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is HETCSJVANDGXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-14-9-7-8-12-16(14)17(21)20-13-19(2,18(22)23)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).