2-(5-methoxy-2-methylanilino)acetic acid

C10H13NO3 — CID 130496332

IUPAC2-(5-methoxy-2-methylanilino)acetic acid
SMILESCOc1ccc(C)c(NCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-7-3-4-8(14-2)5-9(7)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyHHTAYPQJDDPYCP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.50
Rot. Bonds4

About 2-(5-methoxy-2-methylanilino)acetic acid

2-(5-methoxy-2-methylanilino)acetic acid (PubChem CID 130496332) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5-methoxy-2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methylanilino)acetic acid
PubChem CID130496332
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(5-methoxy-2-methylanilino)acetic acid
SMILESCOc1ccc(C)c(NCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-7-3-4-8(14-2)5-9(7)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyHHTAYPQJDDPYCP-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
2-[[2-(2-cyano-5-methoxyanilino)acetyl]amino]acetic acid
CID 81299645
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 55387354

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methylanilino)acetic acid?
The IUPAC name of 2-(5-methoxy-2-methylanilino)acetic acid (CID 130496332) is 2-(5-methoxy-2-methylanilino)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methylanilino)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-methylanilino)acetic acid is COc1ccc(C)c(NCC(=O)O)c1.
What is the InChIKey of 2-(5-methoxy-2-methylanilino)acetic acid?
The InChIKey is HHTAYPQJDDPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-3-4-8(14-2)5-9(7)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-methoxy-2-methylanilino)acetic acid?
2-(5-methoxy-2-methylanilino)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methylanilino)acetic acid is sourced from PubChem (CID 130496332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).