2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid

C17H19FN2O4 — CID 119195279

IUPAC2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)C1CC1
InChIInChI=1S/C17H19FN2O4/c18-12-2-5-14-11(9-12)1-6-15(21)19(14)8-7-16(22)20(10-17(23)24)13-3-4-13/h2,5,9,13H,1,3-4,6-8,10H2,(H,23,24)
InChIKeyBXBGNONJYWDFGK-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.57
Rot. Bonds6

About 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid

2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid (PubChem CID 119195279) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid
PubChem CID119195279
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)C1CC1
InChIInChI=1S/C17H19FN2O4/c18-12-2-5-14-11(9-12)1-6-15(21)19(14)8-7-16(22)20(10-17(23)24)13-3-4-13/h2,5,9,13H,1,3-4,6-8,10H2,(H,23,24)
InChIKeyBXBGNONJYWDFGK-UHFFFAOYSA-N
XLogP1.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 233951
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CID 11654531
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CID 13690800
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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid (CID 119195279) is 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCN1C(=O)CCc2cc(F)ccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid?
The InChIKey is BXBGNONJYWDFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-2-5-14-11(9-12)1-6-15(21)19(14)8-7-16(22)20(10-17(23)24)13-3-4-13/h2,5,9,13H,1,3-4,6-8,10H2,(H,23,24).
What are the key properties of 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid has a molecular weight of 334.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119195279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).