2-[2-(3-fluorophenyl)ethylamino]acetic acid

C10H12FNO2 — CID 18618403

IUPAC2-[2-(3-fluorophenyl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c11-9-3-1-2-8(6-9)4-5-12-7-10(13)14/h1-3,6,12H,4-5,7H2,(H,13,14)
InChIKeyRLNRGBNIKZLYSN-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethylamino]acetic acid

2-[2-(3-fluorophenyl)ethylamino]acetic acid (PubChem CID 18618403) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylamino]acetic acid
PubChem CID18618403
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[2-(3-fluorophenyl)ethylamino]acetic acid
SMILESO=C(O)CNCCc1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c11-9-3-1-2-8(6-9)4-5-12-7-10(13)14/h1-3,6,12H,4-5,7H2,(H,13,14)
InChIKeyRLNRGBNIKZLYSN-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]acetic acid (CID 18618403) is 2-[2-(3-fluorophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylamino]acetic acid is O=C(O)CNCCc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylamino]acetic acid?
The InChIKey is RLNRGBNIKZLYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-3-1-2-8(6-9)4-5-12-7-10(13)14/h1-3,6,12H,4-5,7H2,(H,13,14).
What are the key properties of 2-[2-(3-fluorophenyl)ethylamino]acetic acid?
2-[2-(3-fluorophenyl)ethylamino]acetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylamino]acetic acid is sourced from PubChem (CID 18618403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).