2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid

C14H19NO4 — CID 28765944

IUPAC2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
SMILESCOc1ccc(N(CC(=O)O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(18)15(9-12(16)17)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyZRWGIVDOYNCEMH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.16
Rot. Bonds4

About 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid

2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid (PubChem CID 28765944) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
PubChem CID28765944
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
SMILESCOc1ccc(N(CC(=O)O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)13(18)15(9-12(16)17)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyZRWGIVDOYNCEMH-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
2-(4-methoxy-N-(1-oxothiane-4-carbonyl)anilino)acetic acid
CID 22318062
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
CID 20871784
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-4-chloroanilino)acetic acid
CID 65269874
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
3-(N-carbamothioyl-4-methoxyanilino)propanoic acid
CID 119090131
2-[4-(4-heptoxybenzoyl)oxy-N-(4-methoxybenzoyl)anilino]acetic acid
CID 89285027

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid?
The IUPAC name of 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid (CID 28765944) is 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid?
The canonical SMILES for 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid is COc1ccc(N(CC(=O)O)C(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid?
The InChIKey is ZRWGIVDOYNCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)13(18)15(9-12(16)17)10-5-7-11(19-4)8-6-10/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid?
2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid is sourced from PubChem (CID 28765944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).