3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid

C15H20ClNO3 — CID 65261502

IUPAC3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)Cc1cccc(Cl)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-6-5-7-11(16)8-10/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyIZBVLIGDWLCODJ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.89
Rot. Bonds5

About 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid

3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261502) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261502
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)Cc1cccc(Cl)c1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20ClNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-6-5-7-11(16)8-10/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyIZBVLIGDWLCODJ-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 65261339
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
2-(3-chlorophenyl)-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105059159
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503915
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
2-(3-chlorophenyl)-N-(2-naphthalen-2-ylpropan-2-yl)acetamide
CID 15590855
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022
1-(3-chlorophenyl)propan-2-one
CID 2734097
3-[[2-(2,5-dimethylphenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261589
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid (CID 65261502) is 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)Cc1cccc(Cl)c1)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is IZBVLIGDWLCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-14(2,13(19)20)15(3,4)17-12(18)9-10-6-5-7-11(16)8-10/h5-8H,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 297.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).