2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid

C12H17NO3 — CID 114994953

IUPAC2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
SMILESCOCc1cccc(NC(C)(C)C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15)13-10-6-4-5-9(7-10)8-16-3/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyWKHKLJNVWYNYON-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.11
Rot. Bonds5

About 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid

2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid (PubChem CID 114994953) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
PubChem CID114994953
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
SMILESCOCc1cccc(NC(C)(C)C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-12(2,11(14)15)13-10-6-4-5-9(7-10)8-16-3/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyWKHKLJNVWYNYON-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-[3-(methoxymethyl)anilino]-2-methylbutanoic acid
CID 79392392
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
4-[3-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212426
methyl 2-bromo-3-[3-(methoxymethyl)anilino]propanoate
CID 103245977
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
2-fluoro-4-[[3-(methoxymethyl)anilino]methyl]benzoic acid
CID 106699900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The IUPAC name of 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid (CID 114994953) is 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid is COCc1cccc(NC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
The InChIKey is WKHKLJNVWYNYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,11(14)15)13-10-6-4-5-9(7-10)8-16-3/h4-7,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid?
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid has a molecular weight of 223.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 114994953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).