2-[4-[acetyl(methyl)amino]phenyl]acetic acid

C11H13NO3 — CID 20670865

IUPAC2-[4-[acetyl(methyl)amino]phenyl]acetic acid
SMILESCC(=O)N(C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)10-5-3-9(4-6-10)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLRULHWAZAYOPOB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.30
Rot. Bonds3

About 2-[4-[acetyl(methyl)amino]phenyl]acetic acid

2-[4-[acetyl(methyl)amino]phenyl]acetic acid (PubChem CID 20670865) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]phenyl]acetic acid
PubChem CID20670865
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[4-[acetyl(methyl)amino]phenyl]acetic acid
SMILESCC(=O)N(C)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)10-5-3-9(4-6-10)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLRULHWAZAYOPOB-UHFFFAOYSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[acetyl(methyl)amino]phenyl]-N,N-diethylacetamide
CID 110674893
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]acetamide
CID 110674829
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
CID 52988212
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-N-methylacetamide
CID 58144500

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]acetic acid (CID 20670865) is 2-[4-[acetyl(methyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]phenyl]acetic acid is CC(=O)N(C)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]phenyl]acetic acid?
The InChIKey is LRULHWAZAYOPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12(2)10-5-3-9(4-6-10)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-[acetyl(methyl)amino]phenyl]acetic acid?
2-[4-[acetyl(methyl)amino]phenyl]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]phenyl]acetic acid is sourced from PubChem (CID 20670865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).