[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium

C10H15N2O+ — CID 23548413

IUPAC[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCNC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/p+1
InChIKeyBVRKOQJETMBIDK-UHFFFAOYSA-O
MW179.24 g/mol
LogP-0.41
Rot. Bonds3

About [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium

[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 23548413) has the molecular formula C10H15N2O+ and a molecular weight of 179.24 g/mol. Its IUPAC name is [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID23548413
Molecular FormulaC10H15N2O+
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCNC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/p+1
InChIKeyBVRKOQJETMBIDK-UHFFFAOYSA-O
XLogP-0.41
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]acetate
CID 6992303
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 7408125
[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11771429
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium
CID 7015206
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium (CID 23548413) is [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium is CNC(=O)C([NH3+])Cc1ccccc1.
What is the InChIKey of [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is BVRKOQJETMBIDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3,(H,12,13)/p+1.
What are the key properties of [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium?
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 179.24 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 23548413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).