2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid

C11H11Cl2N3O4 — CID 43360187

IUPAC2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
SMILESCC(NC(N)=O)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11Cl2N3O4/c1-4(15-11(14)20)9(17)16-8-6(10(18)19)2-5(12)3-7(8)13/h2-4H,1H3,(H,16,17)(H,18,19)(H3,14,15,20)
InChIKeyIRYTUGMRIZUILN-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.69
Rot. Bonds4

About 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid

2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid (PubChem CID 43360187) has the molecular formula C11H11Cl2N3O4 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
PubChem CID43360187
Molecular FormulaC11H11Cl2N3O4
Molecular Weight320.13 g/mol
Exact Mass319.01
IUPAC Name2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid
SMILESCC(NC(N)=O)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H11Cl2N3O4/c1-4(15-11(14)20)9(17)16-8-6(10(18)19)2-5(12)3-7(8)13/h2-4H,1H3,(H,16,17)(H,18,19)(H3,14,15,20)
InChIKeyIRYTUGMRIZUILN-UHFFFAOYSA-N
XLogP1.69
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[2-(carbamoylamino)propanoylamino]-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-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
2-[(2-amino-4-methylpentanoyl)amino]-3,5-dichlorobenzoic acid
CID 61161551
3,5-dichloro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79202526
2-[2-(carbamoylamino)propanoylamino]-3,6-dichlorobenzoic acid
CID 107048182
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
3,5-dichloro-2-(prop-2-enoylamino)benzoic acid
CID 43153770
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
3,5-dichloro-2-(3-methylbutylamino)benzoic acid
CID 18803925
3,5-dichloro-2-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 61194367
3,5-dichloro-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]benzoic acid
CID 61201944
3,5-dichloro-2-(propanoylcarbamothioylamino)benzoic acid
CID 960380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid?
The IUPAC name of 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid (CID 43360187) is 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid is CC(NC(N)=O)C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid?
The InChIKey is IRYTUGMRIZUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O4/c1-4(15-11(14)20)9(17)16-8-6(10(18)19)2-5(12)3-7(8)13/h2-4H,1H3,(H,16,17)(H,18,19)(H3,14,15,20).
What are the key properties of 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid?
2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid has a molecular weight of 320.13 g/mol, XLogP of 1.69, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)propanoylamino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 43360187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).