2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid

C11H14N2O4 — CID 3519215

IUPAC2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C11H14N2O4/c14-10(15)5-9-11(16)12-2-3-13(9)6-8-1-4-17-7-8/h1,4,7,9H,2-3,5-6H2,(H,12,16)(H,14,15)
InChIKeyOBNITAJGFOUFBA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.05
Rot. Bonds4

About 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 3519215) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID3519215
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1ccoc1
InChIInChI=1S/C11H14N2O4/c14-10(15)5-9-11(16)12-2-3-13(9)6-8-1-4-17-7-8/h1,4,7,9H,2-3,5-6H2,(H,12,16)(H,14,15)
InChIKeyOBNITAJGFOUFBA-UHFFFAOYSA-N
XLogP0.05
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
2-[1-[[4-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115525652
(3R)-4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 26316866
4-(furan-3-ylmethyl)-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 45227835
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071352
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
4-(furan-3-ylmethyl)-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45170722
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
CID 26407343
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
2-[1-[[3-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115529673
N-ethyl-2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 95723989

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid (CID 3519215) is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1Cc1ccoc1.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is OBNITAJGFOUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(15)5-9-11(16)12-2-3-13(9)6-8-1-4-17-7-8/h1,4,7,9H,2-3,5-6H2,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 3519215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).