2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid

C14H16Cl2N2O3 — CID 122100904

IUPAC2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(14(20)21)18(10-3-4-10)7-13(19)17-12-5-2-9(15)6-11(12)16/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyGFUFXJOUFOQGQQ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.87
Rot. Bonds6

About 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid

2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 122100904) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID122100904
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-8(14(20)21)18(10-3-4-10)7-13(19)17-12-5-2-9(15)6-11(12)16/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyGFUFXJOUFOQGQQ-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid
CID 122083148
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083120
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
2-[[2-(2-bromoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083127
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
N-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46444172
2-[[2-(2-benzylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122100876
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913739

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid (CID 122100904) is 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid is CC(C(=O)O)N(CC(=O)Nc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is GFUFXJOUFOQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8(14(20)21)18(10-3-4-10)7-13(19)17-12-5-2-9(15)6-11(12)16/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 331.20 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,4-dichloroanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122100904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).