methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate

C11H16N2O5 — CID 20670311

IUPACmethyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate
SMILESCOC(=O)C1CCCC2C(=O)OCC(N)C(=O)N12
InChIInChI=1S/C11H16N2O5/c1-17-10(15)7-3-2-4-8-11(16)18-5-6(12)9(14)13(7)8/h6-8H,2-5,12H2,1H3
InChIKeyZVZIEBNSLGFTBK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.21
Rot. Bonds1

About methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate

methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate (PubChem CID 20670311) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate
PubChem CID20670311
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate
SMILESCOC(=O)C1CCCC2C(=O)OCC(N)C(=O)N12
InChIInChI=1S/C11H16N2O5/c1-17-10(15)7-3-2-4-8-11(16)18-5-6(12)9(14)13(7)8/h6-8H,2-5,12H2,1H3
InChIKeyZVZIEBNSLGFTBK-UHFFFAOYSA-N
XLogP-1.21
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate?
The IUPAC name of methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate (CID 20670311) is methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate?
The canonical SMILES for methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate is COC(=O)C1CCCC2C(=O)OCC(N)C(=O)N12.
What is the InChIKey of methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate?
The InChIKey is ZVZIEBNSLGFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-17-10(15)7-3-2-4-8-11(16)18-5-6(12)9(14)13(7)8/h6-8H,2-5,12H2,1H3.
What are the key properties of methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate?
methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate has a molecular weight of 256.26 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate is sourced from PubChem (CID 20670311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).