[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium

C10H13FNO2+ — CID 7020806

IUPAC[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m1/s1
InChIKeyBZIPAMJMCZCLFS-SECBINFHSA-O
MW198.22 g/mol
LogP0.15
Rot. Bonds3

About [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium

[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium (PubChem CID 7020806) has the molecular formula C10H13FNO2+ and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
PubChem CID7020806
Molecular FormulaC10H13FNO2+
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@H]([NH3+])Cc1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m1/s1
InChIKeyBZIPAMJMCZCLFS-SECBINFHSA-O
XLogP0.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
CID 139542071
methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
CID 67419664
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
methyl (2R,3S)-4-(3-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 90878773
(2R,3S)-3-azaniumyl-4-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoate
CID 86307458
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium (CID 7020806) is [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium is COC(=O)[C@H]([NH3+])Cc1cccc(F)c1.
What is the InChIKey of [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
The InChIKey is BZIPAMJMCZCLFS-SECBINFHSA-O. The full InChI is InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3/p+1/t9-/m1/s1.
What are the key properties of [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium?
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium has a molecular weight of 198.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7020806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).