2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid

C15H19FN2O4 — CID 120517221

IUPAC2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C15H19FN2O4/c1-9(2)7-18(8-14(20)21)15(22)12-6-11(17-10(3)19)4-5-13(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyQWCYVMYJFHCAJR-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.97
Rot. Bonds6

About 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 120517221) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID120517221
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C15H19FN2O4/c1-9(2)7-18(8-14(20)21)15(22)12-6-11(17-10(3)19)4-5-13(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyQWCYVMYJFHCAJR-UHFFFAOYSA-N
XLogP1.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 110902888
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
2-[(5-acetamido-2-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 120518774
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 71989683
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-(3-methylbutoxy)ethyl 5-acetamido-2-fluorobenzoate
CID 60568176

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid (CID 120517221) is 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid is CC(=O)Nc1ccc(F)c(C(=O)N(CC(=O)O)CC(C)C)c1.
What is the InChIKey of 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is QWCYVMYJFHCAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-9(2)7-18(8-14(20)21)15(22)12-6-11(17-10(3)19)4-5-13(12)16/h4-6,9H,7-8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 310.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 120517221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).