2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid

C12H20N2O4 — CID 65071553

IUPAC2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC1CC(N2CCNC(=O)C2CC(=O)O)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-6-9(2-5-18-8)14-4-3-13-12(17)10(14)7-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFYSXKCRKIFDNQE-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.17
Rot. Bonds3

About 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65071553) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID65071553
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCC1CC(N2CCNC(=O)C2CC(=O)O)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-6-9(2-5-18-8)14-4-3-13-12(17)10(14)7-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFYSXKCRKIFDNQE-UHFFFAOYSA-N
XLogP-0.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid (CID 65071553) is 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid is CC1CC(N2CCNC(=O)C2CC(=O)O)CCO1.
What is the InChIKey of 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is FYSXKCRKIFDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-6-9(2-5-18-8)14-4-3-13-12(17)10(14)7-11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65071553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).