2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid

C15H21NO4 — CID 67638357

IUPAC2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-9(13(17)18)11-7-6-10(20-5)8-12(11)16-14(19)15(2,3)4/h6-9H,1-5H3,(H,16,19)(H,17,18)
InChIKeyBXCFQYNOUVAOMI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid

2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid (PubChem CID 67638357) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid
PubChem CID67638357
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-9(13(17)18)11-7-6-10(20-5)8-12(11)16-14(19)15(2,3)4/h6-9H,1-5H3,(H,16,19)(H,17,18)
InChIKeyBXCFQYNOUVAOMI-UHFFFAOYSA-N
XLogP2.87
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 135058493
2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
methyl 2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanoate
CID 43726039
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybenzoic acid
CID 115411628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid (CID 67638357) is 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid is COc1ccc(C(C)C(=O)O)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid?
The InChIKey is BXCFQYNOUVAOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9(13(17)18)11-7-6-10(20-5)8-12(11)16-14(19)15(2,3)4/h6-9H,1-5H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid?
2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid is sourced from PubChem (CID 67638357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).