2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid

C12H22N2O3 — CID 82839087

IUPAC2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCC1CCC(CN2CCN(CC(=O)O)CC2)O1
InChIInChI=1S/C12H22N2O3/c1-10-2-3-11(17-10)8-13-4-6-14(7-5-13)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyCMUQUIGBIHCAEL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.26
Rot. Bonds4

About 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid

2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid (PubChem CID 82839087) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
PubChem CID82839087
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
SMILESCC1CCC(CN2CCN(CC(=O)O)CC2)O1
InChIInChI=1S/C12H22N2O3/c1-10-2-3-11(17-10)8-13-4-6-14(7-5-13)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyCMUQUIGBIHCAEL-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid (CID 82839087) is 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid is CC1CCC(CN2CCN(CC(=O)O)CC2)O1.
What is the InChIKey of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid?
The InChIKey is CMUQUIGBIHCAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10-2-3-11(17-10)8-13-4-6-14(7-5-13)9-12(15)16/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid?
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 82839087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).