2-acetamido-2-(3,5-dimethylphenyl)acetic acid

C12H15NO3 — CID 63702397

IUPAC2-acetamido-2-(3,5-dimethylphenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H15NO3/c1-7-4-8(2)6-10(5-7)11(12(15)16)13-9(3)14/h4-6,11H,1-3H3,(H,13,14)(H,15,16)
InChIKeyXKPMFACVFGYPML-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.57
Rot. Bonds3

About 2-acetamido-2-(3,5-dimethylphenyl)acetic acid

2-acetamido-2-(3,5-dimethylphenyl)acetic acid (PubChem CID 63702397) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-acetamido-2-(3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(3,5-dimethylphenyl)acetic acid
PubChem CID63702397
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-acetamido-2-(3,5-dimethylphenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H15NO3/c1-7-4-8(2)6-10(5-7)11(12(15)16)13-9(3)14/h4-6,11H,1-3H3,(H,13,14)(H,15,16)
InChIKeyXKPMFACVFGYPML-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
CID 14212860
(2S)-2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 96586653
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252
(2R)-2-acetamido-2-[3-(diaminomethylideneamino)phenyl]acetic acid
CID 70415921
methyl (2S,3R)-2-acetamido-3-(3,5-dimethylphenyl)-3-phenylpropanoate
CID 162402186
2-acetamido-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid
CID 63702927
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
2-acetamido-2-(2,3-dimethylphenyl)acetic acid
CID 63701891

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-acetamido-2-(3,5-dimethylphenyl)acetic acid (CID 63702397) is 2-acetamido-2-(3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-acetamido-2-(3,5-dimethylphenyl)acetic acid is CC(=O)NC(C(=O)O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-acetamido-2-(3,5-dimethylphenyl)acetic acid?
The InChIKey is XKPMFACVFGYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-4-8(2)6-10(5-7)11(12(15)16)13-9(3)14/h4-6,11H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-2-(3,5-dimethylphenyl)acetic acid?
2-acetamido-2-(3,5-dimethylphenyl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 63702397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).