(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid

C19H23NO4 — CID 71730307

IUPAC(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](C(=O)O)[C@@H](C)C[C@]231
InChIInChI=1S/C19H23NO4/c1-11-10-19-14-6-5-13(24-2)8-12(14)4-3-7-20(19)16(21)9-15(19)17(11)18(22)23/h5-6,8,11,15,17H,3-4,7,9-10H2,1-2H3,(H,22,23)/t11-,15-,17+,19-/m0/s1
InChIKeyRCZUREAPNZDWCN-VQIUWYBXSA-N
MW329.40 g/mol
LogP2.43
Rot. Bonds2

About (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid

(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid (PubChem CID 71730307) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid.

Molecular Properties

Compound Name(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid
PubChem CID71730307
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](C(=O)O)[C@@H](C)C[C@]231
InChIInChI=1S/C19H23NO4/c1-11-10-19-14-6-5-13(24-2)8-12(14)4-3-7-20(19)16(21)9-15(19)17(11)18(22)23/h5-6,8,11,15,17H,3-4,7,9-10H2,1-2H3,(H,22,23)/t11-,15-,17+,19-/m0/s1
InChIKeyRCZUREAPNZDWCN-VQIUWYBXSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid?
The IUPAC name of (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid (CID 71730307) is (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid.
What is the SMILES notation for (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid?
The canonical SMILES for (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid is COc1ccc2c(c1)CCCN1C(=O)C[C@H]3[C@H](C(=O)O)[C@@H](C)C[C@]231.
What is the InChIKey of (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid?
The InChIKey is RCZUREAPNZDWCN-VQIUWYBXSA-N. The full InChI is InChI=1S/C19H23NO4/c1-11-10-19-14-6-5-13(24-2)8-12(14)4-3-7-20(19)16(21)9-15(19)17(11)18(22)23/h5-6,8,11,15,17H,3-4,7,9-10H2,1-2H3,(H,22,23)/t11-,15-,17+,19-/m0/s1.
What are the key properties of (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid?
(1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14S,15R,16S)-5-methoxy-16-methyl-12-oxo-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-triene-15-carboxylic acid is sourced from PubChem (CID 71730307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).