methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate

C11H16BrNO3 — CID 62012332

IUPACmethyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(Br)o1
InChIInChI=1S/C11H16BrNO3/c1-3-6-13(8-11(14)15-2)7-9-4-5-10(12)16-9/h4-5H,3,6-8H2,1-2H3
InChIKeyXMQCPCNGQGEESE-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.43
Rot. Bonds6

About methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate

methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate (PubChem CID 62012332) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
PubChem CID62012332
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Namemethyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(Br)o1
InChIInChI=1S/C11H16BrNO3/c1-3-6-13(8-11(14)15-2)7-9-4-5-10(12)16-9/h4-5H,3,6-8H2,1-2H3
InChIKeyXMQCPCNGQGEESE-UHFFFAOYSA-N
XLogP2.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-bromofuran-2-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952646
methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
[5-[(dipropylamino)methyl]furan-2-yl]methanol
CID 115879634
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62012537
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
CID 103821518
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate (CID 62012332) is methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1ccc(Br)o1.
What is the InChIKey of methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate?
The InChIKey is XMQCPCNGQGEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-3-6-13(8-11(14)15-2)7-9-4-5-10(12)16-9/h4-5H,3,6-8H2,1-2H3.
What are the key properties of methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate?
methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate has a molecular weight of 290.16 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate is sourced from PubChem (CID 62012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).