2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid

C12H16N2O4 — CID 2997285

IUPAC2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)O)o1
InChIInChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyWZNUTYXPWKUFMM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.36
Rot. Bonds4

About 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 2997285) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID2997285
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)O)o1
InChIInChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyWZNUTYXPWKUFMM-UHFFFAOYSA-N
XLogP0.36
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid (CID 2997285) is 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid is Cc1ccc(CN2CCNC(=O)C2CC(=O)O)o1.
What is the InChIKey of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is WZNUTYXPWKUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-2-3-9(18-8)7-14-5-4-13-12(17)10(14)6-11(15)16/h2-3,10H,4-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 2997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).