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

C11H12N2O5 — CID 62034409

IUPAC2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)c1ccoc1
InChIInChI=1S/C11H12N2O5/c14-9(15)5-8-10(16)12-2-3-13(8)11(17)7-1-4-18-6-7/h1,4,6,8H,2-3,5H2,(H,12,16)(H,14,15)
InChIKeyGDMXOSXOPVISID-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.31
Rot. Bonds3

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

2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 62034409) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID62034409
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)c1ccoc1
InChIInChI=1S/C11H12N2O5/c14-9(15)5-8-10(16)12-2-3-13(8)11(17)7-1-4-18-6-7/h1,4,6,8H,2-3,5H2,(H,12,16)(H,14,15)
InChIKeyGDMXOSXOPVISID-UHFFFAOYSA-N
XLogP-0.31
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[1-(3-bromo-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790397
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
2-[1-(3-chloro-4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82872889
2-[1-(5-bromothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032405
2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 115596375
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790399
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 62034409) is 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1C(=O)c1ccoc1.
What is the InChIKey of 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is GDMXOSXOPVISID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-9(15)5-8-10(16)12-2-3-13(8)11(17)7-1-4-18-6-7/h1,4,6,8H,2-3,5H2,(H,12,16)(H,14,15).
What are the key properties of 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 252.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 62034409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).