3-(2-fluorophenyl)-2-(methylamino)propanoic acid

C10H12FNO2 — CID 19046630

IUPAC3-(2-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCNC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-4-2-3-5-8(7)11/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyCCDCDPCWLAPDAQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.04
Rot. Bonds4

About 3-(2-fluorophenyl)-2-(methylamino)propanoic acid

3-(2-fluorophenyl)-2-(methylamino)propanoic acid (PubChem CID 19046630) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(methylamino)propanoic acid
PubChem CID19046630
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-(2-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCNC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-4-2-3-5-8(7)11/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyCCDCDPCWLAPDAQ-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(methylamino)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(methylamino)propanoic acid (CID 19046630) is 3-(2-fluorophenyl)-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(methylamino)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(methylamino)propanoic acid is CNC(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 3-(2-fluorophenyl)-2-(methylamino)propanoic acid?
The InChIKey is CCDCDPCWLAPDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-9(10(13)14)6-7-4-2-3-5-8(7)11/h2-5,9,12H,6H2,1H3,(H,13,14).
What are the key properties of 3-(2-fluorophenyl)-2-(methylamino)propanoic acid?
3-(2-fluorophenyl)-2-(methylamino)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 19046630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).