[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium

C13H21N2O+ — CID 8794414

IUPAC[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)9-15(3)10(2)13(14)16/h5-8,10H,4,9H2,1-3H3,(H2,14,16)/p+1/t10-/m1/s1
InChIKeyVYCUUHMEOSFZRA-SNVBAGLBSA-O
MW221.32 g/mol
LogP0.14
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium

[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium (PubChem CID 8794414) has the molecular formula C13H21N2O+ and a molecular weight of 221.32 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
PubChem CID8794414
Molecular FormulaC13H21N2O+
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
SMILESCCc1ccc(C[NH+](C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)9-15(3)10(2)13(14)16/h5-8,10H,4,9H2,1-3H3,(H2,14,16)/p+1/t10-/m1/s1
InChIKeyVYCUUHMEOSFZRA-SNVBAGLBSA-O
XLogP0.14
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594729
(4-bromophenyl)methyl-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8539666
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515787
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515783
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
1-(4-ethylphenyl)-3,4-dimethylpentan-2-one
CID 114963410
(4-ethylphenyl)methyl-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515680
2-(diethylamino)-2-(4-ethylphenyl)acetamide
CID 112509996
methyl-[(4-methylphenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8517438
(4-ethylphenyl)-dimethylazanium
CID 159170698

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium (CID 8794414) is [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium is CCc1ccc(C[NH+](C)[C@H](C)C(N)=O)cc1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium?
The InChIKey is VYCUUHMEOSFZRA-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)9-15(3)10(2)13(14)16/h5-8,10H,4,9H2,1-3H3,(H2,14,16)/p+1/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium?
[(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium has a molecular weight of 221.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 8794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).