2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid

C11H14BrNO3 — CID 61372306

IUPAC2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO3/c12-10-4-3-9(16-10)7-13-5-1-2-8(13)6-11(14)15/h3-4,8H,1-2,5-7H2,(H,14,15)
InChIKeySKMAUHJDZAAAHF-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.48
Rot. Bonds4

About 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61372306) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61372306
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ccc(Br)o1
InChIInChI=1S/C11H14BrNO3/c12-10-4-3-9(16-10)7-13-5-1-2-8(13)6-11(14)15/h3-4,8H,1-2,5-7H2,(H,14,15)
InChIKeySKMAUHJDZAAAHF-UHFFFAOYSA-N
XLogP2.48
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067715
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
1-[(5-bromofuran-2-yl)methyl]azepane-2-carboxylic acid
CID 64562185
5-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 115312700
2-[1-[(2,3,6-trichlorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 82183336
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167884918
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 112641386
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371917
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61372306) is 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1ccc(Br)o1.
What is the InChIKey of 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is SKMAUHJDZAAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c12-10-4-3-9(16-10)7-13-5-1-2-8(13)6-11(14)15/h3-4,8H,1-2,5-7H2,(H,14,15).
What are the key properties of 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 288.14 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).