methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

C11H14BrNO5 — CID 62952646

IUPACmethyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO5/c1-16-10(14)6-13(7-11(15)17-2)5-8-3-4-9(12)18-8/h3-4H,5-7H2,1-2H3
InChIKeySBNHDIAAFIOWGJ-UHFFFAOYSA-N
MW320.14 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62952646) has the molecular formula C11H14BrNO5 and a molecular weight of 320.14 g/mol. Its IUPAC name is methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62952646
Molecular FormulaC11H14BrNO5
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Namemethyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO5/c1-16-10(14)6-13(7-11(15)17-2)5-8-3-4-9(12)18-8/h3-4H,5-7H2,1-2H3
InChIKeySBNHDIAAFIOWGJ-UHFFFAOYSA-N
XLogP1.19
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
CID 62012332
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
methyl 2-[1-[(5-bromofuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetate
CID 107776191
methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 37420375
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 78870121
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 54942022
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62952646) is methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1ccc(Br)o1.
What is the InChIKey of methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SBNHDIAAFIOWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5/c1-16-10(14)6-13(7-11(15)17-2)5-8-3-4-9(12)18-8/h3-4H,5-7H2,1-2H3.
What are the key properties of methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 320.14 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62952646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).