[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C15H19BrN2O6 — CID 7899443

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESC[C@@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1
InChIInChI=1S/C15H19BrN2O6/c1-9-6-18(7-10(2)23-9)13(19)8-22-14(20)5-17-15(21)11-3-4-12(16)24-11/h3-4,9-10H,5-8H2,1-2H3,(H,17,21)/t9-,10-/m1/s1
InChIKeyOEINDOZPLNTBED-NXEZZACHSA-N
MW403.23 g/mol
LogP0.95
Rot. Bonds5

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7899443) has the molecular formula C15H19BrN2O6 and a molecular weight of 403.23 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7899443
Molecular FormulaC15H19BrN2O6
Molecular Weight403.23 g/mol
Exact Mass402.04
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESC[C@@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1
InChIInChI=1S/C15H19BrN2O6/c1-9-6-18(7-10(2)23-9)13(19)8-22-14(20)5-17-15(21)11-3-4-12(16)24-11/h3-4,9-10H,5-8H2,1-2H3,(H,17,21)/t9-,10-/m1/s1
InChIKeyOEINDOZPLNTBED-NXEZZACHSA-N
XLogP0.95
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899432
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 4287885
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899372
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609325
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645845
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 11918477
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 42901502

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7899443) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is C[C@@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is OEINDOZPLNTBED-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19BrN2O6/c1-9-6-18(7-10(2)23-9)13(19)8-22-14(20)5-17-15(21)11-3-4-12(16)24-11/h3-4,9-10H,5-8H2,1-2H3,(H,17,21)/t9-,10-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 403.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7899443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).