2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid

C20H23NO6 — CID 120700996

IUPAC2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-20(19(23)24,13-8-6-5-7-9-13)12-21-18(22)14-10-11-15(25-2)17(27-4)16(14)26-3/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyLLECIYJYYSGEIG-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.48
Rot. Bonds8

About 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid

2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid (PubChem CID 120700996) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
PubChem CID120700996
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H23NO6/c1-20(19(23)24,13-8-6-5-7-9-13)12-21-18(22)14-10-11-15(25-2)17(27-4)16(14)26-3/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyLLECIYJYYSGEIG-UHFFFAOYSA-N
XLogP2.48
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3,4-trimethoxybenzamide
CID 90523042
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid (CID 120700996) is 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid is COc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid?
The InChIKey is LLECIYJYYSGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-20(19(23)24,13-8-6-5-7-9-13)12-21-18(22)14-10-11-15(25-2)17(27-4)16(14)26-3/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid?
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid has a molecular weight of 373.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 120700996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).