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

C12H13Cl2NO3 — CID 61261366

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18)15-10(16)6-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJZWBLKFSTDKMIC-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.52
Rot. Bonds4

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

2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61261366) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61261366
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18)15-10(16)6-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJZWBLKFSTDKMIC-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,4-dichlorophenyl)butanoylamino]-2-methylpropanoic acid
CID 94966647
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
CID 134589022
N-(3-carbamothioylpentan-3-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63045274
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid (CID 61261366) is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is JZWBLKFSTDKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-12(2,11(17)18)15-10(16)6-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 290.15 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).