7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C13H12F2N4O3 — CID 102504450

IUPAC7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@@H]1CN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C[C@@H]1F
InChIInChI=1S/C13H12F2N4O3/c14-7-1-5-10(20)6(13(21)22)2-17-11(5)18-12(7)19-3-8(15)9(16)4-19/h1-2,8-9H,3-4,16H2,(H,21,22)(H,17,18,20)/t8-,9+/m0/s1
InChIKeyQJVUAMUNQCGFBX-DTWKUNHWSA-N
MW310.26 g/mol
LogP0.25
Rot. Bonds2

About 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 102504450) has the molecular formula C13H12F2N4O3 and a molecular weight of 310.26 g/mol. Its IUPAC name is 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID102504450
Molecular FormulaC13H12F2N4O3
Molecular Weight310.26 g/mol
Exact Mass310.09
IUPAC Name7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESN[C@@H]1CN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C[C@@H]1F
InChIInChI=1S/C13H12F2N4O3/c14-7-1-5-10(20)6(13(21)22)2-17-11(5)18-12(7)19-3-8(15)9(16)4-19/h1-2,8-9H,3-4,16H2,(H,21,22)(H,17,18,20)/t8-,9+/m0/s1
InChIKeyQJVUAMUNQCGFBX-DTWKUNHWSA-N
XLogP0.25
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67274806
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 146345517
7-(azetidin-1-yl)-6-chloro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10062174
ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 20519045
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 67274860
7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
CID 3072819
1-(3,5-difluoro-2-pyridinyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346790
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 102504450) is 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is N[C@@H]1CN(c2nc3[nH]cc(C(=O)O)c(=O)c3cc2F)C[C@@H]1F.
What is the InChIKey of 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QJVUAMUNQCGFBX-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H12F2N4O3/c14-7-1-5-10(20)6(13(21)22)2-17-11(5)18-12(7)19-3-8(15)9(16)4-19/h1-2,8-9H,3-4,16H2,(H,21,22)(H,17,18,20)/t8-,9+/m0/s1.
What are the key properties of 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 310.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 102504450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).