5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

C13H16Cl2N2O3 — CID 82832892

IUPAC5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-7(2-3-11(18)19)6-17-13(20)8-4-9(14)12(16)10(15)5-8/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBNKAAPWZDDXCJ-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.81
Rot. Bonds6

About 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82832892) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID82832892
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-7(2-3-11(18)19)6-17-13(20)8-4-9(14)12(16)10(15)5-8/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyHBNKAAPWZDDXCJ-UHFFFAOYSA-N
XLogP2.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 82683416
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
5-[(3-chloro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 82012836
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
CID 82833436
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
CID 82012991

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 82832892) is 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is HBNKAAPWZDDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-7(2-3-11(18)19)6-17-13(20)8-4-9(14)12(16)10(15)5-8/h4-5,7H,2-3,6,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 319.19 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82832892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).