2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid

C10H10Cl3NO3 — CID 104643883

IUPAC2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
SMILESCC(O)(CNc1c(Cl)cc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl3NO3/c1-10(17,9(15)16)4-14-8-6(12)2-5(11)3-7(8)13/h2-3,14,17H,4H2,1H3,(H,15,16)
InChIKeyUQXNOSFNGCYMHX-UHFFFAOYSA-N
MW298.55 g/mol
LogP2.89
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid

2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid (PubChem CID 104643883) has the molecular formula C10H10Cl3NO3 and a molecular weight of 298.55 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
PubChem CID104643883
Molecular FormulaC10H10Cl3NO3
Molecular Weight298.55 g/mol
Exact Mass296.97
IUPAC Name2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
SMILESCC(O)(CNc1c(Cl)cc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl3NO3/c1-10(17,9(15)16)4-14-8-6(12)2-5(11)3-7(8)13/h2-3,14,17H,4H2,1H3,(H,15,16)
InChIKeyUQXNOSFNGCYMHX-UHFFFAOYSA-N
XLogP2.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.55
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-(2,2-dimethylpropyl)aniline
CID 63425253
3-[(2,4,6-trichloroanilino)methyl]pentan-3-ol
CID 114492766
methyl 2,2-dimethyl-3-(2,4,6-trichloroanilino)propanoate
CID 79623311
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
2-(2,4,6-trichloroanilino)acetic acid
CID 28992701
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
2-[(2,4,6-trichloroanilino)methylsulfanyl]acetic acid
CID 134117053
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
3-(4-bromo-2,6-dimethylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643845
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid (CID 104643883) is 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid is CC(O)(CNc1c(Cl)cc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid?
The InChIKey is UQXNOSFNGCYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO3/c1-10(17,9(15)16)4-14-8-6(12)2-5(11)3-7(8)13/h2-3,14,17H,4H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid?
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid has a molecular weight of 298.55 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid is sourced from PubChem (CID 104643883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).