3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid

C12H13Cl2NO3 — CID 62675142

IUPAC3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2NO3/c1-7(12(17)18)6-15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUNLVMGQNIJMHGS-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.37
Rot. Bonds5

About 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 62675142) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID62675142
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2NO3/c1-7(12(17)18)6-15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUNLVMGQNIJMHGS-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2433513

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid (CID 62675142) is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid is CC(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is UNLVMGQNIJMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-7(12(17)18)6-15-11(16)4-8-2-3-9(13)5-10(8)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 290.15 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).