[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

C15H21FN3O2+ — CID 9053228

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1F)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H20FN3O2/c1-10(19(2)9-14(20)17-11-7-8-11)15(21)18-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,21)/p+1/t10-/m0/s1
InChIKeyWDUZBCFVWCTPAQ-JTQLQIEISA-O
MW294.35 g/mol
LogP-0.05
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9053228) has the molecular formula C15H21FN3O2+ and a molecular weight of 294.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9053228
Molecular FormulaC15H21FN3O2+
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@@H](C(=O)Nc1ccccc1F)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H20FN3O2/c1-10(19(2)9-14(20)17-11-7-8-11)15(21)18-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,21)/p+1/t10-/m0/s1
InChIKeyWDUZBCFVWCTPAQ-JTQLQIEISA-O
XLogP-0.05
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515487
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]-methylazanium
CID 9053504
(4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8516007
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9053620
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2554905

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (CID 9053228) is [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is C[C@@H](C(=O)Nc1ccccc1F)[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is WDUZBCFVWCTPAQ-JTQLQIEISA-O. The full InChI is InChI=1S/C15H20FN3O2/c1-10(19(2)9-14(20)17-11-7-8-11)15(21)18-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,21)/p+1/t10-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 294.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9053228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).