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

C10H14NO2+ — CID 8022405

IUPAC[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([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/t9-/m0/s1
InChIKeyVSDUZFOSJDMAFZ-VIFPVBQESA-O
MW180.23 g/mol
LogP0.01
Rot. Bonds3

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

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 8022405) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium
PubChem CID8022405
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Name[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([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/t9-/m0/s1
InChIKeyVSDUZFOSJDMAFZ-VIFPVBQESA-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
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Solriamfetol
CID 10130337
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
Phenylglycine, D-
CID 70134
2-Phenylglycine
CID 3866
Endorphenyl
CID 6925665
DL-alpha-Methylphenylalanine
CID 108055
L-p-Boronophenylalanine
CID 150315
(S)-2-amino-4-phenylbutanoic acid
CID 2724505

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium?
The IUPAC name of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium (CID 8022405) is [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium is COC(=O)[C@@H]([NH3+])Cc1ccccc1.
What is the InChIKey of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium?
The InChIKey is VSDUZFOSJDMAFZ-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium?
[(2S)-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 [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 8022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).