5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid

C14H17FN2O3 — CID 43457694

IUPAC5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H17FN2O3/c15-10-7-12-8(4-5-13(18)17-12)6-9(10)11(16)2-1-3-14(19)20/h6-7,11H,1-5,16H2,(H,17,18)(H,19,20)
InChIKeyNWEWRRXHPCPURC-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.97
Rot. Bonds5

About 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid

5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid (PubChem CID 43457694) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid
PubChem CID43457694
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid
SMILESNC(CCCC(=O)O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H17FN2O3/c15-10-7-12-8(4-5-13(18)17-12)6-9(10)11(16)2-1-3-14(19)20/h6-7,11H,1-5,16H2,(H,17,18)(H,19,20)
InChIKeyNWEWRRXHPCPURC-UHFFFAOYSA-N
XLogP1.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid?
The IUPAC name of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid (CID 43457694) is 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid?
The canonical SMILES for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid is NC(CCCC(=O)O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid?
The InChIKey is NWEWRRXHPCPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-7-12-8(4-5-13(18)17-12)6-9(10)11(16)2-1-3-14(19)20/h6-7,11H,1-5,16H2,(H,17,18)(H,19,20).
What are the key properties of 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid?
5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoic acid is sourced from PubChem (CID 43457694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).