[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium

C17H26N3O2+ — CID 8910070

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H25N3O2/c1-13(14-7-5-4-6-8-14)20(3)17(22)12-19(2)11-16(21)18-15-9-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyXZARCHDHLLHWRW-ZDUSSCGKSA-O
MW304.41 g/mol
LogP-0.00
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium (PubChem CID 8910070) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
PubChem CID8910070
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H25N3O2/c1-13(14-7-5-4-6-8-14)20(3)17(22)12-19(2)11-16(21)18-15-9-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyXZARCHDHLLHWRW-ZDUSSCGKSA-O
XLogP-0.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348195
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348120
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
CID 8909754
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
[2-(cyclopropylamino)-2-oxoethyl]-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 8910295
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-methylazanium
CID 8909645
[2-(cyclopropylamino)-2-oxoethyl]-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-methylazanium
CID 8910266
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8911428
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8911226
[2-(benzhydrylamino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711950
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
CID 64567705

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium (CID 8910070) is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium is C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is XZARCHDHLLHWRW-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-13(14-7-5-4-6-8-14)20(3)17(22)12-19(2)11-16(21)18-15-9-10-15/h4-8,13,15H,9-12H2,1-3H3,(H,18,21)/p+1/t13-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium?
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 304.41 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).