oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate

C10H16N2O4 — CID 107436952

IUPACoxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate
SMILESO=C1CNC(C(=O)OCC2CCCO2)CN1
InChIInChI=1S/C10H16N2O4/c13-9-5-11-8(4-12-9)10(14)16-6-7-2-1-3-15-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyTWXKTMWOGBBPNN-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.20
Rot. Bonds3

About oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate

oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate (PubChem CID 107436952) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate
PubChem CID107436952
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameoxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate
SMILESO=C1CNC(C(=O)OCC2CCCO2)CN1
InChIInChI=1S/C10H16N2O4/c13-9-5-11-8(4-12-9)10(14)16-6-7-2-1-3-15-7/h7-8,11H,1-6H2,(H,12,13)
InChIKeyTWXKTMWOGBBPNN-UHFFFAOYSA-N
XLogP-1.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
(4R)-2-oxo-N,N-bis[[(2S)-oxolan-2-yl]methyl]imidazolidine-4-carboxamide
CID 98798751
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate (CID 107436952) is oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate is O=C1CNC(C(=O)OCC2CCCO2)CN1.
What is the InChIKey of oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate?
The InChIKey is TWXKTMWOGBBPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9-5-11-8(4-12-9)10(14)16-6-7-2-1-3-15-7/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate?
oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-oxopiperazine-2-carboxylate is sourced from PubChem (CID 107436952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).