methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate

C18H23N3O6 — CID 140812828

IUPACmethyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CCCCCC(C(=O)OC)NC2=O
InChIInChI=1S/C18H23N3O6/c1-26-17(24)13-6-4-3-5-7-15(22)20-14-10-11(19-18(25)27-2)8-9-12(14)16(23)21-13/h8-10,13H,3-7H2,1-2H3,(H,19,25)(H,20,22)(H,21,23)
InChIKeyHUXBYXXQRRJDNR-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.04
Rot. Bonds2

About methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate

methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate (PubChem CID 140812828) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate.

Molecular Properties

Compound Namemethyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate
PubChem CID140812828
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Namemethyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)CCCCCC(C(=O)OC)NC2=O
InChIInChI=1S/C18H23N3O6/c1-26-17(24)13-6-4-3-5-7-15(22)20-14-10-11(19-18(25)27-2)8-9-12(14)16(23)21-13/h8-10,13H,3-7H2,1-2H3,(H,19,25)(H,20,22)(H,21,23)
InChIKeyHUXBYXXQRRJDNR-UHFFFAOYSA-N
XLogP2.04
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate?
The IUPAC name of methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate (CID 140812828) is methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate.
What is the SMILES notation for methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate?
The canonical SMILES for methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate is COC(=O)Nc1ccc2c(c1)NC(=O)CCCCCC(C(=O)OC)NC2=O.
What is the InChIKey of methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate?
The InChIKey is HUXBYXXQRRJDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-26-17(24)13-6-4-3-5-7-15(22)20-14-10-11(19-18(25)27-2)8-9-12(14)16(23)21-13/h8-10,13H,3-7H2,1-2H3,(H,19,25)(H,20,22)(H,21,23).
What are the key properties of methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate?
methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-(methoxycarbonylamino)-3,11-dioxo-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-9-carboxylate is sourced from PubChem (CID 140812828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).