2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid

C13H17NO3 — CID 63704772

IUPAC2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H17NO3/c1-7-5-8(2)11(9(3)6-7)12(13(16)17)14-10(4)15/h5-6,12H,1-4H3,(H,14,15)(H,16,17)
InChIKeyOGWPGCLNBWGOHX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.87
Rot. Bonds3

About 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid

2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 63704772) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID63704772
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H17NO3/c1-7-5-8(2)11(9(3)6-7)12(13(16)17)14-10(4)15/h5-6,12H,1-4H3,(H,14,15)(H,16,17)
InChIKeyOGWPGCLNBWGOHX-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-(3,5-dimethylphenyl)acetic acid
CID 63702397
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60997589
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
2-acetamido-3-(2,4,6-trimethylphenyl)propanoic acid
CID 54847012
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
2-acetamido-2-(2,3-dimethylphenyl)acetic acid
CID 63701891
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid (CID 63704772) is 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid is CC(=O)NC(C(=O)O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is OGWPGCLNBWGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-7-5-8(2)11(9(3)6-7)12(13(16)17)14-10(4)15/h5-6,12H,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid?
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 63704772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).