2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

C16H23NO3 — CID 65261339

IUPAC2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1cccc(CC(=O)NC(C)(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C16H23NO3/c1-11-7-6-8-12(9-11)10-13(18)17-16(4,5)15(2,3)14(19)20/h6-9H,10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyFTAZFKRAXLQJKH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.54
Rot. Bonds5

About 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 65261339) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
PubChem CID65261339
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1cccc(CC(=O)NC(C)(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C16H23NO3/c1-11-7-6-8-12(9-11)10-13(18)17-16(4,5)15(2,3)14(19)20/h6-9H,10H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyFTAZFKRAXLQJKH-UHFFFAOYSA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
3-[[2-(2,5-dimethylphenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261589
N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114307937
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid (CID 65261339) is 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid is Cc1cccc(CC(=O)NC(C)(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is FTAZFKRAXLQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-6-8-12(9-11)10-13(18)17-16(4,5)15(2,3)14(19)20/h6-9H,10H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 65261339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).