potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate

C11H10Cl2KNO4 — CID 110192566

IUPACpotassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate
SMILESO=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1.[K+]
InChIInChI=1S/C11H11Cl2NO4.K/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);/q;+1/p-1/t9-;/m1./s1
InChIKeyRNGRTQDIUHAQMK-SBSPUUFOSA-M
MW330.21 g/mol
LogP-2.17
Rot. Bonds5

About potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate

potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate (PubChem CID 110192566) has the molecular formula C11H10Cl2KNO4 and a molecular weight of 330.21 g/mol. Its IUPAC name is potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Namepotassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate
PubChem CID110192566
Molecular FormulaC11H10Cl2KNO4
Molecular Weight330.21 g/mol
Exact Mass328.96
IUPAC Namepotassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate
SMILESO=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1.[K+]
InChIInChI=1S/C11H11Cl2NO4.K/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);/q;+1/p-1/t9-;/m1./s1
InChIKeyRNGRTQDIUHAQMK-SBSPUUFOSA-M
XLogP-2.17
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium
CID 110192568
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2R)-2-hydroxypentanedioate
CID 5460200
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3,4,5-trihydroxybenzoate
CID 23996367
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
CID 82179923
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042

Frequently Asked Questions

What is the IUPAC name of potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate?
The IUPAC name of potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate (CID 110192566) is potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate.
What is the SMILES notation for potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate?
The canonical SMILES for potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate is O=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1.[K+].
What is the InChIKey of potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate?
The InChIKey is RNGRTQDIUHAQMK-SBSPUUFOSA-M. The full InChI is InChI=1S/C11H11Cl2NO4.K/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);/q;+1/p-1/t9-;/m1./s1.
What are the key properties of potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate?
potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate has a molecular weight of 330.21 g/mol, XLogP of -2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate is sourced from PubChem (CID 110192566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).