[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

C15H20Cl2N3O2+ — CID 8559559

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[C@H](C(=O)NC1CC1)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9(15(22)18-10-6-7-10)20(2)8-13(21)19-14-11(16)4-3-5-12(14)17/h3-5,9-10H,6-8H2,1-2H3,(H,18,22)(H,19,21)/p+1/t9-/m1/s1
InChIKeyYWHOSKHDSYNKQB-SECBINFHSA-O
MW345.25 g/mol
LogP1.11
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (PubChem CID 8559559) has the molecular formula C15H20Cl2N3O2+ and a molecular weight of 345.25 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
PubChem CID8559559
Molecular FormulaC15H20Cl2N3O2+
Molecular Weight345.25 g/mol
Exact Mass344.09
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
SMILESC[C@H](C(=O)NC1CC1)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2N3O2/c1-9(15(22)18-10-6-7-10)20(2)8-13(21)19-14-11(16)4-3-5-12(14)17/h3-5,9-10H,6-8H2,1-2H3,(H,18,22)(H,19,21)/p+1/t9-/m1/s1
InChIKeyYWHOSKHDSYNKQB-SECBINFHSA-O
XLogP1.11
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylazanium
CID 9287008
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9053620
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 9036627
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
CID 9053661
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
CID 11938603

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium (CID 8559559) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is C[C@H](C(=O)NC1CC1)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is YWHOSKHDSYNKQB-SECBINFHSA-O. The full InChI is InChI=1S/C15H19Cl2N3O2/c1-9(15(22)18-10-6-7-10)20(2)8-13(21)19-14-11(16)4-3-5-12(14)17/h3-5,9-10H,6-8H2,1-2H3,(H,18,22)(H,19,21)/p+1/t9-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 345.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).