4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid

C15H19Cl2NO4 — CID 119203778

IUPAC4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H19Cl2NO4/c1-9(22-12-5-4-10(16)8-11(12)17)14(21)18-15(2,3)7-6-13(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNDHMBBRYIOSNES-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.52
Rot. Bonds7

About 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid

4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid (PubChem CID 119203778) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
PubChem CID119203778
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C15H19Cl2NO4/c1-9(22-12-5-4-10(16)8-11(12)17)14(21)18-15(2,3)7-6-13(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNDHMBBRYIOSNES-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic 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

3-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 64672107
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 11262655
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
4-[[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091101

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid (CID 119203778) is 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid?
The InChIKey is NDHMBBRYIOSNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-9(22-12-5-4-10(16)8-11(12)17)14(21)18-15(2,3)7-6-13(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid?
4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid has a molecular weight of 348.23 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119203778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).