2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid

C10H9ClFNO3 — CID 82479206

IUPAC2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H9ClFNO3/c11-7-1-2-8(12)6(3-7)4-9(14)13-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyGIRLZSPSVFCWAF-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.22
Rot. Bonds4

About 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid

2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid (PubChem CID 82479206) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid
PubChem CID82479206
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H9ClFNO3/c11-7-1-2-8(12)6(3-7)4-9(14)13-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyGIRLZSPSVFCWAF-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid (CID 82479206) is 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid?
The InChIKey is GIRLZSPSVFCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c11-7-1-2-8(12)6(3-7)4-9(14)13-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid?
2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid has a molecular weight of 245.64 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-fluorophenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 82479206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).