2-[(4-fluorobenzoyl)-methylamino]acetic acid

C10H10FNO3 — CID 16774208

IUPAC2-[(4-fluorobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyYSKWGOCVDOEFKF-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4-fluorobenzoyl)-methylamino]acetic acid

2-[(4-fluorobenzoyl)-methylamino]acetic acid (PubChem CID 16774208) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)-methylamino]acetic acid
PubChem CID16774208
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-[(4-fluorobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14)
InChIKeyYSKWGOCVDOEFKF-UHFFFAOYSA-N
XLogP0.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)-methylamino]acetic acid (CID 16774208) is 2-[(4-fluorobenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)-methylamino]acetic acid?
The InChIKey is YSKWGOCVDOEFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-12(6-9(13)14)10(15)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(4-fluorobenzoyl)-methylamino]acetic acid?
2-[(4-fluorobenzoyl)-methylamino]acetic acid has a molecular weight of 211.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 16774208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).