2-cyclopropyl-2-(3-fluoroanilino)propanoic acid

C12H14FNO2 — CID 60992885

IUPAC2-cyclopropyl-2-(3-fluoroanilino)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyXXFVGJVIUIHBFG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid

2-cyclopropyl-2-(3-fluoroanilino)propanoic acid (PubChem CID 60992885) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-fluoroanilino)propanoic acid
PubChem CID60992885
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-cyclopropyl-2-(3-fluoroanilino)propanoic acid
SMILESCC(Nc1cccc(F)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyXXFVGJVIUIHBFG-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid (CID 60992885) is 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid is CC(Nc1cccc(F)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid?
The InChIKey is XXFVGJVIUIHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid?
2-cyclopropyl-2-(3-fluoroanilino)propanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-fluoroanilino)propanoic acid is sourced from PubChem (CID 60992885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).