2-(2-aminopropanoylamino)-6-fluorobenzoic acid

C10H11FN2O3 — CID 61156859

IUPAC2-(2-aminopropanoylamino)-6-fluorobenzoic acid
SMILESCC(N)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-5(12)9(14)13-7-4-2-3-6(11)8(7)10(15)16/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyNGDFFJIXKALPBM-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.81
Rot. Bonds3

About 2-(2-aminopropanoylamino)-6-fluorobenzoic acid

2-(2-aminopropanoylamino)-6-fluorobenzoic acid (PubChem CID 61156859) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)-6-fluorobenzoic acid
PubChem CID61156859
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-(2-aminopropanoylamino)-6-fluorobenzoic acid
SMILESCC(N)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C10H11FN2O3/c1-5(12)9(14)13-7-4-2-3-6(11)8(7)10(15)16/h2-5H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyNGDFFJIXKALPBM-UHFFFAOYSA-N
XLogP0.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-6-fluorobenzoic acid
CID 104907999
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202324
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61498833
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-6-fluorobenzoic acid
CID 82939627

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropanoylamino)-6-fluorobenzoic acid?
The IUPAC name of 2-(2-aminopropanoylamino)-6-fluorobenzoic acid (CID 61156859) is 2-(2-aminopropanoylamino)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)-6-fluorobenzoic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)-6-fluorobenzoic acid is CC(N)C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)-6-fluorobenzoic acid?
The InChIKey is NGDFFJIXKALPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-5(12)9(14)13-7-4-2-3-6(11)8(7)10(15)16/h2-5H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-aminopropanoylamino)-6-fluorobenzoic acid?
2-(2-aminopropanoylamino)-6-fluorobenzoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)-6-fluorobenzoic acid is sourced from PubChem (CID 61156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).