(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium

C14H20Cl2N2O4 — CID 110192568

IUPAC(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4.C3H9N/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;1-3(2)4/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);3H,4H2,1-2H3/t9-;/m1./s1
InChIKeyWMKNSPBOQPWWFX-SBSPUUFOSA-N
MW351.23 g/mol
LogP0.46
Rot. Bonds5

About (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium

(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium (PubChem CID 110192568) has the molecular formula C14H20Cl2N2O4 and a molecular weight of 351.23 g/mol. Its IUPAC name is (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium.

Molecular Properties

Compound Name(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium
PubChem CID110192568
Molecular FormulaC14H20Cl2N2O4
Molecular Weight351.23 g/mol
Exact Mass350.08
IUPAC Name(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium
SMILESCC(C)[NH3+].O=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO4.C3H9N/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;1-3(2)4/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);3H,4H2,1-2H3/t9-;/m1./s1
InChIKeyWMKNSPBOQPWWFX-SBSPUUFOSA-N
XLogP0.46
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate
CID 110192566
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3,4,5-trihydroxybenzoate
CID 23996367
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
CID 82179923
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N-(3,5-dichlorophenyl)-4-oxopentanamide
CID 11839705
1-(3,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 103910043
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712162

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium?
The IUPAC name of (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium (CID 110192568) is (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium.
What is the SMILES notation for (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium?
The canonical SMILES for (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium is CC(C)[NH3+].O=C([O-])CC[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium?
The InChIKey is WMKNSPBOQPWWFX-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H11Cl2NO4.C3H9N/c12-6-3-7(13)5-8(4-6)14-11(18)9(15)1-2-10(16)17;1-3(2)4/h3-5,9,15H,1-2H2,(H,14,18)(H,16,17);3H,4H2,1-2H3/t9-;/m1./s1.
What are the key properties of (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium?
(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium has a molecular weight of 351.23 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium is sourced from PubChem (CID 110192568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).