methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate

C20H23N3O3 — CID 118287597

IUPACmethyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccnc(c1)[C@@H](N)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/C20H23N3O3/c1-12-4-3-5-16(21)18-11-13(8-9-22-18)15-10-14(20(25)26-2)6-7-17(15)23-19(12)24/h6-12,16H,3-5,21H2,1-2H3,(H,23,24)/t12-,16+/m1/s1
InChIKeyCPDHDWUWBUSWDB-WBMJQRKESA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds1

About methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate

methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate (PubChem CID 118287597) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate.

Molecular Properties

Compound Namemethyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate
PubChem CID118287597
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate
SMILESCOC(=O)c1ccc2c(c1)-c1ccnc(c1)[C@@H](N)CCC[C@@H](C)C(=O)N2
InChIInChI=1S/C20H23N3O3/c1-12-4-3-5-16(21)18-11-13(8-9-22-18)15-10-14(20(25)26-2)6-7-17(15)23-19(12)24/h6-12,16H,3-5,21H2,1-2H3,(H,23,24)/t12-,16+/m1/s1
InChIKeyCPDHDWUWBUSWDB-WBMJQRKESA-N
XLogP3.29
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate?
The IUPAC name of methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate (CID 118287597) is methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate.
What is the SMILES notation for methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate?
The canonical SMILES for methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate is COC(=O)c1ccc2c(c1)-c1ccnc(c1)[C@@H](N)CCC[C@@H](C)C(=O)N2.
What is the InChIKey of methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate?
The InChIKey is CPDHDWUWBUSWDB-WBMJQRKESA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-4-3-5-16(21)18-11-13(8-9-22-18)15-10-14(20(25)26-2)6-7-17(15)23-19(12)24/h6-12,16H,3-5,21H2,1-2H3,(H,23,24)/t12-,16+/m1/s1.
What are the key properties of methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate?
methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-4-carboxylate is sourced from PubChem (CID 118287597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).