5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid

C13H20N2O6 — CID 102688229

IUPAC5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCOC(=O)CN1CCN(C(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C13H20N2O6/c1-20-11(16)8-14-4-6-15(7-5-14)12(17)9-2-3-10(21-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyWXPUJBDAHQDPTG-UHFFFAOYSA-N
MW300.31 g/mol
LogP-1.06
Rot. Bonds4

About 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid

5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102688229) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID102688229
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCOC(=O)CN1CCN(C(=O)C2CCC(C(=O)O)O2)CC1
InChIInChI=1S/C13H20N2O6/c1-20-11(16)8-14-4-6-15(7-5-14)12(17)9-2-3-10(21-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyWXPUJBDAHQDPTG-UHFFFAOYSA-N
XLogP-1.06
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,5S)-5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944960
5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944933
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
(2R,5S)-5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944525
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102944528
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid (CID 102688229) is 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid is COC(=O)CN1CCN(C(=O)C2CCC(C(=O)O)O2)CC1.
What is the InChIKey of 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is WXPUJBDAHQDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-20-11(16)8-14-4-6-15(7-5-14)12(17)9-2-3-10(21-9)13(18)19/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).