2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid

C15H26N2O4 — CID 65157041

IUPAC2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1OC(C)C(C(=O)N2CCN(C(C)C(=O)O)CC2)C1C
InChIInChI=1S/C15H26N2O4/c1-9-11(3)21-12(4)13(9)14(18)17-7-5-16(6-8-17)10(2)15(19)20/h9-13H,5-8H2,1-4H3,(H,19,20)
InChIKeyGFFXADYPCFMQIJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.66
Rot. Bonds3

About 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 65157041) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID65157041
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1OC(C)C(C(=O)N2CCN(C(C)C(=O)O)CC2)C1C
InChIInChI=1S/C15H26N2O4/c1-9-11(3)21-12(4)13(9)14(18)17-7-5-16(6-8-17)10(2)15(19)20/h9-13H,5-8H2,1-4H3,(H,19,20)
InChIKeyGFFXADYPCFMQIJ-UHFFFAOYSA-N
XLogP0.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615306
[4-(2-chloroethyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159539
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159239
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
CID 77057802
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62311887
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 62310100
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid (CID 65157041) is 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid is CC1OC(C)C(C(=O)N2CCN(C(C)C(=O)O)CC2)C1C.
What is the InChIKey of 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is GFFXADYPCFMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9-11(3)21-12(4)13(9)14(18)17-7-5-16(6-8-17)10(2)15(19)20/h9-13H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 298.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65157041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).