2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid

C10H9ClFNO4 — CID 71254884

IUPAC2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFNO4/c11-6-2-1-3-7(10(6)12)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyDEYNJQYVGGAMPN-UHFFFAOYSA-N
MW261.64 g/mol
LogP1.45
Rot. Bonds5

About 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid

2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid (PubChem CID 71254884) has the molecular formula C10H9ClFNO4 and a molecular weight of 261.64 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid
PubChem CID71254884
Molecular FormulaC10H9ClFNO4
Molecular Weight261.64 g/mol
Exact Mass261.02
IUPAC Name2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C10H9ClFNO4/c11-6-2-1-3-7(10(6)12)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyDEYNJQYVGGAMPN-UHFFFAOYSA-N
XLogP1.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.64
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid (CID 71254884) is 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid is O=C(O)CN(CC(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid?
The InChIKey is DEYNJQYVGGAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO4/c11-6-2-1-3-7(10(6)12)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid?
2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid has a molecular weight of 261.64 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-3-chloro-2-fluoroanilino]acetic acid is sourced from PubChem (CID 71254884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).