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

C13H15Cl2NO3 — CID 80538312

IUPAC4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)19)4-5-16-12(17)6-9-2-3-10(14)7-11(9)15/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZOVKJURUNUNJKG-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.76
Rot. Bonds6

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

4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 80538312) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID80538312
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C13H15Cl2NO3/c1-8(13(18)19)4-5-16-12(17)6-9-2-3-10(14)7-11(9)15/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZOVKJURUNUNJKG-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80539155

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid (CID 80538312) is 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is ZOVKJURUNUNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(13(18)19)4-5-16-12(17)6-9-2-3-10(14)7-11(9)15/h2-3,7-8H,4-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid?
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 304.17 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80538312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).