(14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid

C19H21FN4O3 — CID 70953231

About (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid

(14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid (PubChem CID 70953231) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid.

Molecular Properties

• Compound Name: (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
• PubChem CID: 70953231
• Molecular Formula: C19H21FN4O3
• Molecular Weight: 372.40 g/mol
• Exact Mass: 372.16
• IUPAC Name: (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
• SMILES: CN1C[C@@H]2[C@H](N)CCN2c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c21
• InChI: InChI=1S/C19H21FN4O3/c1-22-8-14-13(21)4-5-23(14)16-12(20)6-10-15(17(16)22)24(9-2-3-9)7-11(18(10)25)19(26)27/h6-7,9,13-14H,2-5,8,21H2,1H3,(H,26,27)/t13-,14-/m1/s1
• InChIKey: KQLGNWYDFGYFRT-ZIAGYGMSSA-N
• XLogP: 1.53
• TPSA: 91.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.40
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The IUPAC name of (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid (CID 70953231) is (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid.

What is the SMILES notation for (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The canonical SMILES for (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid is CN1C[C@@H]2[C@H](N)CCN2c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c21.

What is the InChIKey of (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

The InChIKey is KQLGNWYDFGYFRT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-22-8-14-13(21)4-5-23(14)16-12(20)6-10-15(17(16)22)24(9-2-3-9)7-11(18(10)25)19(26)27/h6-7,9,13-14H,2-5,8,21H2,1H3,(H,26,27)/t13-,14-/m1/s1.

What are the key properties of (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid?

(14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid is sourced from PubChem (CID 70953231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).