(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate

C9H10FNO2 — CID 7062294

IUPAC(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccccc1F
InChIInChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyRSCLTSJQAQBNCE-MRVPVSSYSA-N
MW183.18 g/mol
LogP-0.75
Rot. Bonds3

About (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate

(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate (PubChem CID 7062294) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
PubChem CID7062294
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccccc1F
InChIInChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyRSCLTSJQAQBNCE-MRVPVSSYSA-N
XLogP-0.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-azaniumyl-3-(2,4-difluorophenyl)propanoate
CID 7015501
(3R)-3-azaniumyl-3-(2-ethylphenyl)propanoate
CID 7022685
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
(3S)-3-azaniumyl-3-(3,5-difluorophenyl)propanoate
CID 7084789
(3S)-3-azaniumyl-3-(2,4-dihydroxyphenyl)propanoate
CID 9152249
(3R)-3-azaniumyl-3-(2,5-dimethylphenyl)propanoate
CID 6921447
2-(2-fluorophenyl)butanedioic acid
CID 50990542
1-chloro-4-(2-fluorophenyl)-4-hydroxybutan-2-one
CID 86094185
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
2-(2-hydroxyphenyl)butanedioate
CID 78423930
bis(2-fluorophenyl)methanol
CID 18424663
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate?
The IUPAC name of (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate (CID 7062294) is (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate.
What is the SMILES notation for (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate?
The canonical SMILES for (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate is [NH3+][C@H](CC(=O)[O-])c1ccccc1F.
What is the InChIKey of (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate?
The InChIKey is RSCLTSJQAQBNCE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate?
(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate has a molecular weight of 183.18 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 7062294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).