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

C12H14FNO3 — CID 119171648

IUPAC2-[3-(2-fluorophenyl)butanoylamino]acetic acid
SMILESCC(CC(=O)NCC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(6-11(15)14-7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMNBPJHOETHOLGV-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.52
Rot. Bonds5

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

2-[3-(2-fluorophenyl)butanoylamino]acetic acid (PubChem CID 119171648) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)butanoylamino]acetic acid
PubChem CID119171648
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-[3-(2-fluorophenyl)butanoylamino]acetic acid
SMILESCC(CC(=O)NCC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-8(6-11(15)14-7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMNBPJHOETHOLGV-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119114018
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)butanamide
CID 122131852
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
CID 120505857
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786
2-[3-(2-fluorophenyl)butanoylamino]-2-methylpentanoic acid
CID 119192367
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)butanoylamino]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)butanoylamino]acetic acid (CID 119171648) is 2-[3-(2-fluorophenyl)butanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)butanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)butanoylamino]acetic acid is CC(CC(=O)NCC(=O)O)c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)butanoylamino]acetic acid?
The InChIKey is MNBPJHOETHOLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8(6-11(15)14-7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(2-fluorophenyl)butanoylamino]acetic acid?
2-[3-(2-fluorophenyl)butanoylamino]acetic acid has a molecular weight of 239.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)butanoylamino]acetic acid is sourced from PubChem (CID 119171648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).