potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate

C12H19KN2O4 — CID 50987177

IUPACpotassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate
SMILESO=C([O-])CCN1CCN(C(=O)C2CCCO2)CC1.[K+]
InChIInChI=1S/C12H20N2O4.K/c15-11(16)3-4-13-5-7-14(8-6-13)12(17)10-2-1-9-18-10;/h10H,1-9H2,(H,15,16);/q;+1/p-1
InChIKeyKGTAAVZVNZYEAG-UHFFFAOYSA-M
MW294.39 g/mol
LogP-4.55
Rot. Bonds4

About potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate

potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate (PubChem CID 50987177) has the molecular formula C12H19KN2O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namepotassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate
PubChem CID50987177
Molecular FormulaC12H19KN2O4
Molecular Weight294.39 g/mol
Exact Mass294.10
IUPAC Namepotassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate
SMILESO=C([O-])CCN1CCN(C(=O)C2CCCO2)CC1.[K+]
InChIInChI=1S/C12H20N2O4.K/c15-11(16)3-4-13-5-7-14(8-6-13)12(17)10-2-1-9-18-10;/h10H,1-9H2,(H,15,16);/q;+1/p-1
InChIKeyKGTAAVZVNZYEAG-UHFFFAOYSA-M
XLogP-4.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 5-4.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate?
The IUPAC name of potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate (CID 50987177) is potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate is O=C([O-])CCN1CCN(C(=O)C2CCCO2)CC1.[K+].
What is the InChIKey of potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate?
The InChIKey is KGTAAVZVNZYEAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N2O4.K/c15-11(16)3-4-13-5-7-14(8-6-13)12(17)10-2-1-9-18-10;/h10H,1-9H2,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate?
potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate has a molecular weight of 294.39 g/mol, XLogP of -4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 50987177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).