2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid

C15H19N3O3 — CID 66164809

IUPAC2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1cncn1C(C)C
InChIInChI=1S/C15H19N3O3/c1-10(2)18-9-16-8-12(18)14(15(19)20)17-11-6-4-5-7-13(11)21-3/h4-10,14,17H,1-3H3,(H,19,20)
InChIKeyKKRRXOKVBJLCTG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid

2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid (PubChem CID 66164809) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
PubChem CID66164809
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
SMILESCOc1ccccc1NC(C(=O)O)c1cncn1C(C)C
InChIInChI=1S/C15H19N3O3/c1-10(2)18-9-16-8-12(18)14(15(19)20)17-11-6-4-5-7-13(11)21-3/h4-10,14,17H,1-3H3,(H,19,20)
InChIKeyKKRRXOKVBJLCTG-UHFFFAOYSA-N
XLogP2.71
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162021
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(2-methoxyanilino)-2-(3-propylimidazol-4-yl)ethanol
CID 66132442
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The IUPAC name of 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid (CID 66164809) is 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid is COc1ccccc1NC(C(=O)O)c1cncn1C(C)C.
What is the InChIKey of 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
The InChIKey is KKRRXOKVBJLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)18-9-16-8-12(18)14(15(19)20)17-11-6-4-5-7-13(11)21-3/h4-10,14,17H,1-3H3,(H,19,20).
What are the key properties of 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid?
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid has a molecular weight of 289.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid is sourced from PubChem (CID 66164809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).