3-(3-fluoroanilino)propanoic acid

C9H10FNO2 — CID 17244968

IUPAC3-(3-fluoroanilino)propanoic acid
SMILESO=C(O)CCNc1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyWKMPTGFIUPPIGN-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.71
Rot. Bonds4

About 3-(3-fluoroanilino)propanoic acid

3-(3-fluoroanilino)propanoic acid (PubChem CID 17244968) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-(3-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoroanilino)propanoic acid
PubChem CID17244968
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-(3-fluoroanilino)propanoic acid
SMILESO=C(O)CCNc1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyWKMPTGFIUPPIGN-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)propanoic acid?
The IUPAC name of 3-(3-fluoroanilino)propanoic acid (CID 17244968) is 3-(3-fluoroanilino)propanoic acid.
What is the SMILES notation for 3-(3-fluoroanilino)propanoic acid?
The canonical SMILES for 3-(3-fluoroanilino)propanoic acid is O=C(O)CCNc1cccc(F)c1.
What is the InChIKey of 3-(3-fluoroanilino)propanoic acid?
The InChIKey is WKMPTGFIUPPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13).
What are the key properties of 3-(3-fluoroanilino)propanoic acid?
3-(3-fluoroanilino)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)propanoic acid is sourced from PubChem (CID 17244968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).