(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium

C10H14NO2+ — CID 3693995

IUPAC(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium
SMILESCOC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1
InChIKeyVSDUZFOSJDMAFZ-UHFFFAOYSA-O
MW180.23 g/mol
LogP0.01
Rot. Bonds3

About (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium

(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium (PubChem CID 3693995) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium.

Molecular Properties

Compound Name(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium
PubChem CID3693995
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Name(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium
SMILESCOC(=O)C([NH3+])Cc1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1
InChIKeyVSDUZFOSJDMAFZ-UHFFFAOYSA-O
XLogP0.01
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Dl-Phenylalanine
CID 994
D-Phenylalanine
CID 71567
p-Fluorophenylalanine
CID 4654
Solriamfetol
CID 10130337
L-Phenylglycine
CID 99291
Endorphenyl
CID 6925665
2-Phenylglycine
CID 3866
DL-alpha-Methylphenylalanine
CID 108055
L-p-Boronophenylalanine
CID 150315
Phenylglycine, D-
CID 70134
4-fluoro-L-phenylalanine
CID 716312

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium?
The IUPAC name of (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium (CID 3693995) is (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium.
What is the SMILES notation for (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium?
The canonical SMILES for (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium is COC(=O)C([NH3+])Cc1ccccc1.
What is the InChIKey of (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium?
The InChIKey is VSDUZFOSJDMAFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1.
What are the key properties of (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium?
(1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium has a molecular weight of 180.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxo-3-phenylpropan-2-yl)azanium is sourced from PubChem (CID 3693995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).