4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid

C15H21Cl2NO2 — CID 65058438

IUPAC4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)18(8-4-5-15(19)20)11(3)13-7-6-12(16)9-14(13)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyJZZFLYXVMGMXKI-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.63
Rot. Bonds7

About 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid

4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid (PubChem CID 65058438) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid
PubChem CID65058438
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)18(8-4-5-15(19)20)11(3)13-7-6-12(16)9-14(13)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyJZZFLYXVMGMXKI-UHFFFAOYSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic 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-[(2,4-dichlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60830882
3-[1-(2,4-dichlorophenyl)ethylsulfamoyl]propanoic acid
CID 43095049
4-[1-(5-bromofuran-2-yl)ethyl-propan-2-ylamino]butanoic acid
CID 104654056
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
4-[(2-chloro-4-fluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60830756
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
4-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 80644849
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943
4-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 60827606
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829614

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid (CID 65058438) is 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid?
The InChIKey is JZZFLYXVMGMXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-10(2)18(8-4-5-15(19)20)11(3)13-7-6-12(16)9-14(13)17/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid?
4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid has a molecular weight of 318.24 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichlorophenyl)ethyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65058438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).