ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate

C12H16BrNO4 — CID 106853797

IUPACethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccoc1Br
InChIInChI=1S/C12H16BrNO4/c1-3-6-14(8-10(15)17-4-2)12(16)9-5-7-18-11(9)13/h5,7H,3-4,6,8H2,1-2H3
InChIKeyGARQPYFQHVSCAF-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.46
Rot. Bonds6

About ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate

ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate (PubChem CID 106853797) has the molecular formula C12H16BrNO4 and a molecular weight of 318.17 g/mol. Its IUPAC name is ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
PubChem CID106853797
Molecular FormulaC12H16BrNO4
Molecular Weight318.17 g/mol
Exact Mass317.03
IUPAC Nameethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccoc1Br
InChIInChI=1S/C12H16BrNO4/c1-3-6-14(8-10(15)17-4-2)12(16)9-5-7-18-11(9)13/h5,7H,3-4,6,8H2,1-2H3
InChIKeyGARQPYFQHVSCAF-UHFFFAOYSA-N
XLogP2.46
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661
ethyl 2-[(4-bromo-2-methoxybenzoyl)-propylamino]acetate
CID 78987800
ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N-ethylfuran-3-carboxamide
CID 106852180
2-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)furan-3-carboxamide
CID 106854125
diethyl 2-[(2-bromofuran-3-carbonyl)amino]propanedioate
CID 106855266
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate (CID 106853797) is ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccoc1Br.
What is the InChIKey of ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate?
The InChIKey is GARQPYFQHVSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4/c1-3-6-14(8-10(15)17-4-2)12(16)9-5-7-18-11(9)13/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate?
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate has a molecular weight of 318.17 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate is sourced from PubChem (CID 106853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).