2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid

C12H15NO4 — CID 63701934

IUPAC2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(C(=O)O)N(C)C(C)=O
InChIInChI=1S/C12H15NO4/c1-8(14)13(2)11(12(15)16)9-6-4-5-7-10(9)17-3/h4-7,11H,1-3H3,(H,15,16)
InChIKeyKYLBBCHQXWWVED-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.30
Rot. Bonds4

About 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid

2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid (PubChem CID 63701934) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
PubChem CID63701934
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(C(=O)O)N(C)C(C)=O
InChIInChI=1S/C12H15NO4/c1-8(14)13(2)11(12(15)16)9-6-4-5-7-10(9)17-3/h4-7,11H,1-3H3,(H,15,16)
InChIKeyKYLBBCHQXWWVED-UHFFFAOYSA-N
XLogP1.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-(2-bromo-4,5-dimethoxyphenyl)acetic acid
CID 63705069
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63703746
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
2-[acetyl(propan-2-yl)amino]-2-(2-ethoxyphenyl)acetic acid
CID 63703534

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid (CID 63701934) is 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid is COc1ccccc1C(C(=O)O)N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
The InChIKey is KYLBBCHQXWWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)13(2)11(12(15)16)9-6-4-5-7-10(9)17-3/h4-7,11H,1-3H3,(H,15,16).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 63701934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).