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

C12H13Cl2NO4 — CID 66173969

IUPAC3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2NO4/c1-12(19,11(17)18)6-15-10(16)4-7-2-3-8(13)5-9(7)14/h2-3,5,19H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyCVBFZAXXZXUKNS-UHFFFAOYSA-N
MW306.14 g/mol
LogP1.49
Rot. Bonds5

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

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173969) has the molecular formula C12H13Cl2NO4 and a molecular weight of 306.14 g/mol. Its IUPAC name is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66173969
Molecular FormulaC12H13Cl2NO4
Molecular Weight306.14 g/mol
Exact Mass305.02
IUPAC Name3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C12H13Cl2NO4/c1-12(19,11(17)18)6-15-10(16)4-7-2-3-8(13)5-9(7)14/h2-3,5,19H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyCVBFZAXXZXUKNS-UHFFFAOYSA-N
XLogP1.49
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 79792946
3-[(4-chlorophenyl)methylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173045
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66173969) is 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CVBFZAXXZXUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO4/c1-12(19,11(17)18)6-15-10(16)4-7-2-3-8(13)5-9(7)14/h2-3,5,19H,4,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 306.14 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).