(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid

C15H19Cl2NO3 — CID 103926441

IUPAC(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H19Cl2NO3/c1-15(2,3)13(14(20)21)18-12(19)7-5-9-4-6-10(16)8-11(9)17/h4,6,8,13H,5,7H2,1-3H3,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyQRQLNPRXTUCLHG-ZDUSSCGKSA-N
MW332.23 g/mol
LogP3.54
Rot. Bonds5

About (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid

(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid (PubChem CID 103926441) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
PubChem CID103926441
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)O
InChIInChI=1S/C15H19Cl2NO3/c1-15(2,3)13(14(20)21)18-12(19)7-5-9-4-6-10(16)8-11(9)17/h4,6,8,13H,5,7H2,1-3H3,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyQRQLNPRXTUCLHG-ZDUSSCGKSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-4,4-difluorobutanoic acid
CID 129465879
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
3-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid (CID 103926441) is (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid?
The InChIKey is QRQLNPRXTUCLHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-15(2,3)13(14(20)21)18-12(19)7-5-9-4-6-10(16)8-11(9)17/h4,6,8,13H,5,7H2,1-3H3,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid has a molecular weight of 332.23 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103926441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).