4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid

C10H11Cl2NO4 — CID 171877758

IUPAC4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid
SMILESNc1c(Cl)cc(C(O)C(O)CC(=O)O)cc1Cl
InChIInChI=1S/C10H11Cl2NO4/c11-5-1-4(2-6(12)9(5)13)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3,13H2,(H,15,16)
InChIKeyRQKYSNLQRONYKC-UHFFFAOYSA-N
MW280.11 g/mol
LogP1.44
Rot. Bonds4

About 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid

4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877758) has the molecular formula C10H11Cl2NO4 and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877758
Molecular FormulaC10H11Cl2NO4
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid
SMILESNc1c(Cl)cc(C(O)C(O)CC(=O)O)cc1Cl
InChIInChI=1S/C10H11Cl2NO4/c11-5-1-4(2-6(12)9(5)13)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3,13H2,(H,15,16)
InChIKeyRQKYSNLQRONYKC-UHFFFAOYSA-N
XLogP1.44
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid 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

4-(4-amino-3-chloro-5-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877702
4-[3-amino-5-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878329
4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877191
4-(3-chloro-4-methoxycarbonylphenyl)-3,4-dihydroxybutanoic acid
CID 171878228
4-(3,5-diformylphenyl)-3,4-dihydroxybutanoic acid
CID 171877975
4-(3-amino-5-methoxycarbonylphenyl)-3,4-dihydroxybutanoic acid
CID 171878356
methyl 3-(4-amino-3,5-dichlorophenyl)-2,3-dihydroxypropanoate
CID 171864144
4-(4-amino-3-bromophenyl)-3,4-dihydroxybutanoic acid
CID 171878770
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877633
4-(3,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878028
4-(2-chloro-4-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877695

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid (CID 171877758) is 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid is Nc1c(Cl)cc(C(O)C(O)CC(=O)O)cc1Cl.
What is the InChIKey of 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is RQKYSNLQRONYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4/c11-5-1-4(2-6(12)9(5)13)10(17)7(14)3-8(15)16/h1-2,7,10,14,17H,3,13H2,(H,15,16).
What are the key properties of 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid?
4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 280.11 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dichlorophenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).