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

C12H15NO3 — CID 63703755

IUPAC2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-8-6-4-5-7-10(8)11(12(15)16)13(3)9(2)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyMLEAXPATWPLOFS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds3

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

2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid (PubChem CID 63703755) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
PubChem CID63703755
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-8-6-4-5-7-10(8)11(12(15)16)13(3)9(2)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyMLEAXPATWPLOFS-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-[(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-methylamino]-2-(2-methylphenyl)acetic acid
CID 167990430
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-(2-methylphenyl)acetic acid
CID 136550232
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
2-[(6-methoxy-3-pyridinyl)methyl-methylamino]-2-(2-methylphenyl)acetic acid
CID 167971767
4-(dimethylamino)-2-(2-methylphenyl)-4-oxobutanoic acid
CID 82129376
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid (CID 63703755) is 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid is CC(=O)N(C)C(C(=O)O)c1ccccc1C.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid?
The InChIKey is MLEAXPATWPLOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-6-4-5-7-10(8)11(12(15)16)13(3)9(2)14/h4-7,11H,1-3H3,(H,15,16).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 63703755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).