2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid

C11H13Br2NO3 — CID 65067715

IUPAC2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(Br)c(Br)o1
InChIInChI=1S/C11H13Br2NO3/c12-9-5-8(17-11(9)13)6-14-3-1-2-7(14)4-10(15)16/h5,7H,1-4,6H2,(H,15,16)
InChIKeyGGZWJONQWLFXBP-UHFFFAOYSA-N
MW367.04 g/mol
LogP3.24
Rot. Bonds4

About 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65067715) has the molecular formula C11H13Br2NO3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID65067715
Molecular FormulaC11H13Br2NO3
Molecular Weight367.04 g/mol
Exact Mass364.93
IUPAC Name2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cc(Br)c(Br)o1
InChIInChI=1S/C11H13Br2NO3/c12-9-5-8(17-11(9)13)6-14-3-1-2-7(14)4-10(15)16/h5,7H,1-4,6H2,(H,15,16)
InChIKeyGGZWJONQWLFXBP-UHFFFAOYSA-N
XLogP3.24
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 65056412
2-[1-[(2,3,6-trichlorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 82183336
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 65068120
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 65067715) is 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1cc(Br)c(Br)o1.
What is the InChIKey of 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is GGZWJONQWLFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3/c12-9-5-8(17-11(9)13)6-14-3-1-2-7(14)4-10(15)16/h5,7H,1-4,6H2,(H,15,16).
What are the key properties of 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 367.04 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).