2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid

C13H16Cl2N2O3 — CID 61161551

IUPAC2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
SMILESCC(C)CC(N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-6(2)3-10(16)12(18)17-11-8(13(19)20)4-7(14)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUIYXYEWPMGKFON-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.00
Rot. Bonds5

About 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid

2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid (PubChem CID 61161551) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
PubChem CID61161551
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
SMILESCC(C)CC(N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C13H16Cl2N2O3/c1-6(2)3-10(16)12(18)17-11-8(13(19)20)4-7(14)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUIYXYEWPMGKFON-UHFFFAOYSA-N
XLogP3.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic 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

2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
CID 43360187
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
3,5-dichloro-2-(3-methylbutylamino)benzoic acid
CID 18803925
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
5-[(2-amino-4-methylpentanoyl)amino]benzene-1,3-dicarboxylic acid
CID 61162411
4-(2-aminobutanoylamino)-3,5-dichlorobenzoic acid
CID 82831163
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-hydroxybenzoic acid
CID 61159275

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid (CID 61161551) is 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid is CC(C)CC(N)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid?
The InChIKey is UIYXYEWPMGKFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-6(2)3-10(16)12(18)17-11-8(13(19)20)4-7(14)5-9(11)15/h4-6,10H,3,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid?
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid has a molecular weight of 319.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 61161551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).