(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid

C10H7Cl2NO2 — CID 92982599

IUPAC(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
SMILESN#C[C@H](CC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3H2,(H,14,15)/t6-/m0/s1
InChIKeyYPWDURPSIHDKSW-LURJTMIESA-N
MW244.08 g/mol
LogP3.08
Rot. Bonds3

About (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid

(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid (PubChem CID 92982599) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
PubChem CID92982599
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
SMILESN#C[C@H](CC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3H2,(H,14,15)/t6-/m0/s1
InChIKeyYPWDURPSIHDKSW-LURJTMIESA-N
XLogP3.08
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-3-(2,5-dichlorophenyl)propanoic acid
CID 82294017
[2-cyano-2-(2,4-dichlorophenyl)ethyl]sulfanylphosphonic acid
CID 67726992
2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
CID 82137198
3-cyano-3-(3,5-dichlorophenyl)propanoic acid
CID 82294018
2-(2,4-dichlorophenyl)-5-methyl-3-oxohexanenitrile
CID 13374432
N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
[cyano-(2,4-dichlorophenyl)methyl]urea
CID 110192031
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
3-(2-bromo-4-methylphenyl)-3-cyanopropanoic acid
CID 82305003
2-(2,4-dichlorophenyl)-5-methyl-3-oxoheptanenitrile
CID 114874950
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
3-(2,4-dichlorophenyl)-3-triphenylgermylpropanoic acid
CID 15180323

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid?
The IUPAC name of (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid (CID 92982599) is (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid is N#C[C@H](CC(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid?
The InChIKey is YPWDURPSIHDKSW-LURJTMIESA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3H2,(H,14,15)/t6-/m0/s1.
What are the key properties of (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid?
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid has a molecular weight of 244.08 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 92982599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).