2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid

C17H20FN3O5 — CID 54721179

IUPAC2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)CCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(F)cnc21
InChIInChI=1S/C17H20FN3O5/c1-17(2,3)4-5-21-14-10(6-9(18)7-19-14)13(24)12(16(21)26)15(25)20-8-11(22)23/h6-7,24H,4-5,8H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyQVFFRGSDIOQRNU-UHFFFAOYSA-N
MW365.36 g/mol
LogP1.49
Rot. Bonds5

About 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid

2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid (PubChem CID 54721179) has the molecular formula C17H20FN3O5 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid
PubChem CID54721179
Molecular FormulaC17H20FN3O5
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)(C)CCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(F)cnc21
InChIInChI=1S/C17H20FN3O5/c1-17(2,3)4-5-21-14-10(6-9(18)7-19-14)13(24)12(16(21)26)15(25)20-8-11(22)23/h6-7,24H,4-5,8H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyQVFFRGSDIOQRNU-UHFFFAOYSA-N
XLogP1.49
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid (CID 54721179) is 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid is CC(C)(C)CCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(F)cnc21.
What is the InChIKey of 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid?
The InChIKey is QVFFRGSDIOQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5/c1-17(2,3)4-5-21-14-10(6-9(18)7-19-14)13(24)12(16(21)26)15(25)20-8-11(22)23/h6-7,24H,4-5,8H2,1-3H3,(H,20,25)(H,22,23).
What are the key properties of 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid?
2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid has a molecular weight of 365.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,3-dimethylbutyl)-6-fluoro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 54721179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).