7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C16H18N4O3 — CID 54271919

IUPAC7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESC[C@]12C[C@@H](N)[C@H]1CN(c1ccc3c(=O)c(C(=O)O)c[nH]c3n1)C2
InChIInChI=1S/C16H18N4O3/c1-16-4-11(17)10(16)6-20(7-16)12-3-2-8-13(21)9(15(22)23)5-18-14(8)19-12/h2-3,5,10-11H,4,6-7,17H2,1H3,(H,22,23)(H,18,19,21)/t10-,11-,16-/m1/s1
InChIKeyRKTHCXZYFIFBAU-GLKRBJQHSA-N
MW314.35 g/mol
LogP0.79
Rot. Bonds2

About 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid

7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 54271919) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID54271919
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESC[C@]12C[C@@H](N)[C@H]1CN(c1ccc3c(=O)c(C(=O)O)c[nH]c3n1)C2
InChIInChI=1S/C16H18N4O3/c1-16-4-11(17)10(16)6-20(7-16)12-3-2-8-13(21)9(15(22)23)5-18-14(8)19-12/h2-3,5,10-11H,4,6-7,17H2,1H3,(H,22,23)(H,18,19,21)/t10-,11-,16-/m1/s1
InChIKeyRKTHCXZYFIFBAU-GLKRBJQHSA-N
XLogP0.79
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 54271919) is 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is C[C@]12C[C@@H](N)[C@H]1CN(c1ccc3c(=O)c(C(=O)O)c[nH]c3n1)C2.
What is the InChIKey of 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RKTHCXZYFIFBAU-GLKRBJQHSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-16-4-11(17)10(16)6-20(7-16)12-3-2-8-13(21)9(15(22)23)5-18-14(8)19-12/h2-3,5,10-11H,4,6-7,17H2,1H3,(H,22,23)(H,18,19,21)/t10-,11-,16-/m1/s1.
What are the key properties of 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 54271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).