tert-butyl 5-oxopiperazine-2-carboxylate

C9H16N2O3 — CID 103846290

IUPACtert-butyl 5-oxopiperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)6-4-11-7(12)5-10-6/h6,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyYOFINVAXRSOYSJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds1

About tert-butyl 5-oxopiperazine-2-carboxylate

tert-butyl 5-oxopiperazine-2-carboxylate (PubChem CID 103846290) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl 5-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxopiperazine-2-carboxylate
PubChem CID103846290
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl 5-oxopiperazine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)6-4-11-7(12)5-10-6/h6,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyYOFINVAXRSOYSJ-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10511752
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
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N-(2-methylbut-3-yn-2-yl)-5-oxopiperazine-2-carboxamide
CID 107436631
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
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tert-butyl 3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 91662912
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
tert-butyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 74600462

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxopiperazine-2-carboxylate?
The IUPAC name of tert-butyl 5-oxopiperazine-2-carboxylate (CID 103846290) is tert-butyl 5-oxopiperazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-oxopiperazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-oxopiperazine-2-carboxylate is CC(C)(C)OC(=O)C1CNC(=O)CN1.
What is the InChIKey of tert-butyl 5-oxopiperazine-2-carboxylate?
The InChIKey is YOFINVAXRSOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)6-4-11-7(12)5-10-6/h6,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl 5-oxopiperazine-2-carboxylate?
tert-butyl 5-oxopiperazine-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxopiperazine-2-carboxylate is sourced from PubChem (CID 103846290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).