ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

C19H29N3O5 — CID 70317955

IUPACethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILESCCOC(=O)[C@@]12C[C@H]1/C=C\COCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2
InChIInChI=1S/C19H29N3O5/c1-2-27-18(25)19-12-13(19)6-4-10-26-11-5-7-14(20)17(24)22-9-3-8-15(22)16(23)21-19/h4,6,13-15H,2-3,5,7-12,20H2,1H3,(H,21,23)/b6-4-/t13-,14+,15+,19-/m1/s1
InChIKeyIRUVQSFSXXDEPD-NHYAUBFRSA-N
MW379.46 g/mol
LogP0.11
Rot. Bonds2

About ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate (PubChem CID 70317955) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
PubChem CID70317955
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nameethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILESCCOC(=O)[C@@]12C[C@H]1/C=C\COCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2
InChIInChI=1S/C19H29N3O5/c1-2-27-18(25)19-12-13(19)6-4-10-26-11-5-7-14(20)17(24)22-9-3-8-15(22)16(23)21-19/h4,6,13-15H,2-3,5,7-12,20H2,1H3,(H,21,23)/b6-4-/t13-,14+,15+,19-/m1/s1
InChIKeyIRUVQSFSXXDEPD-NHYAUBFRSA-N
XLogP0.11
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate with MolForge

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Related Compounds

ethyl (1S,4R,6S,7Z)-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 70314351
ethyl (4R,7Z,14S)-14-amino-2,15-dioxo-3,16,19-triazatricyclo[14.4.0.04,6]icos-7-ene-4-carboxylate
CID 59844510
ethyl (1S,4R,6S,7Z,14S)-14-(methylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 145096157
ethyl (1S,4S,6R,7Z,14R)-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 118012095
ethyl (7E)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 67106043
ethyl (1S,4R,6S,7Z,18R)-15,18-dihydroxy-2-oxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 146788595
ethyl (1S,4R,6S,7Z,18R)-18-hydroxy-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 70318107
ethyl (1S,4R,6S,14S,18R)-18-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 68789720
ethyl (7Z)-18-(6-methoxyisoquinolin-1-yl)oxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 68748246
methyl (4R,7Z,14S)-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 143018615
ethyl (1R,4S,12Z,14S)-4-(hydroxymethyl)-7-methyl-3,6-dioxo-2,5,7-triazabicyclo[12.1.0]pentadec-12-ene-1-carboxylate
CID 71028389
ethyl (1S,4R,6S,7Z,14S,18R)-14-amino-18-[(4-fluoro-1,3-dihydroisoindol-2-yl)oxymethoxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 67569041

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The IUPAC name of ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate (CID 70317955) is ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate.
What is the SMILES notation for ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The canonical SMILES for ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate is CCOC(=O)[C@@]12C[C@H]1/C=C\COCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2.
What is the InChIKey of ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
The InChIKey is IRUVQSFSXXDEPD-NHYAUBFRSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-2-27-18(25)19-12-13(19)6-4-10-26-11-5-7-14(20)17(24)22-9-3-8-15(22)16(23)21-19/h4,6,13-15H,2-3,5,7-12,20H2,1H3,(H,21,23)/b6-4-/t13-,14+,15+,19-/m1/s1.
What are the key properties of ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate?
ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,4R,6S,7Z,14S)-14-amino-2,15-dioxo-10-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate is sourced from PubChem (CID 70317955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).