2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid

C13H15Cl2NO3 — CID 79792946

IUPAC2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-3-13(2,12(18)19)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKJWANZDMWGEXMJ-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.91
Rot. Bonds5

About 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid

2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 79792946) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID79792946
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-3-13(2,12(18)19)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKJWANZDMWGEXMJ-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoate
CID 30876031
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
2-[[2-(2-hydroxyphenyl)acetyl]amino]-2-methylbutanoic acid
CID 80740415
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-2-methylpentanoic acid
CID 120517024
2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-2-methylbutanoic acid
CID 119199618
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylbutanoic acid
CID 108808125
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbutanoic acid
CID 79792860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid (CID 79792946) is 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is KJWANZDMWGEXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-3-13(2,12(18)19)16-11(17)6-8-4-5-9(14)7-10(8)15/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 304.17 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).