methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate

C10H12BrNO4 — CID 106853790

IUPACmethyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccoc1Br
InChIInChI=1S/C10H12BrNO4/c1-3-12(6-8(13)15-2)10(14)7-4-5-16-9(7)11/h4-5H,3,6H2,1-2H3
InChIKeyPXUWCGSTOFFMKB-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate

methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate (PubChem CID 106853790) has the molecular formula C10H12BrNO4 and a molecular weight of 290.11 g/mol. Its IUPAC name is methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
PubChem CID106853790
Molecular FormulaC10H12BrNO4
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Namemethyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccoc1Br
InChIInChI=1S/C10H12BrNO4/c1-3-12(6-8(13)15-2)10(14)7-4-5-16-9(7)11/h4-5H,3,6H2,1-2H3
InChIKeyPXUWCGSTOFFMKB-UHFFFAOYSA-N
XLogP1.68
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
CID 106854125
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N-ethylfuran-3-carboxamide
CID 106852180
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
CID 106853847
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate (CID 106853790) is methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1ccoc1Br.
What is the InChIKey of methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate?
The InChIKey is PXUWCGSTOFFMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4/c1-3-12(6-8(13)15-2)10(14)7-4-5-16-9(7)11/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate?
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate has a molecular weight of 290.11 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 106853790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).