2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid

C14H13FN2O3 — CID 110490402

IUPAC2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc2cc(F)ccc2n1)C(=O)O
InChIInChI=1S/C14H13FN2O3/c1-8(14(19)20)16-13(18)7-11-4-2-9-6-10(15)3-5-12(9)17-11/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyALIHYYMXNVKEEY-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.51
Rot. Bonds4

About 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid

2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid (PubChem CID 110490402) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
PubChem CID110490402
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1ccc2cc(F)ccc2n1)C(=O)O
InChIInChI=1S/C14H13FN2O3/c1-8(14(19)20)16-13(18)7-11-4-2-9-6-10(15)3-5-12(9)17-11/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyALIHYYMXNVKEEY-UHFFFAOYSA-N
XLogP1.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
CID 110465204
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
CID 110465216
2-(6-aminoquinolin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 82547311
3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
CID 110464190
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 110490393
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457
ethane;2-ethyl-6-fluoroquinoline
CID 142538501

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid (CID 110490402) is 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1ccc2cc(F)ccc2n1)C(=O)O.
What is the InChIKey of 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid?
The InChIKey is ALIHYYMXNVKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8(14(19)20)16-13(18)7-11-4-2-9-6-10(15)3-5-12(9)17-11/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid?
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid has a molecular weight of 276.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110490402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).