tert-butyl 2-(2-oxopiperazin-1-yl)acetate

C10H18N2O3 — CID 10584737

IUPACtert-butyl 2-(2-oxopiperazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCNCC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)7-12-5-4-11-6-8(12)13/h11H,4-7H2,1-3H3
InChIKeyGCQGGODJFXCQIE-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.24
Rot. Bonds2

About tert-butyl 2-(2-oxopiperazin-1-yl)acetate

tert-butyl 2-(2-oxopiperazin-1-yl)acetate (PubChem CID 10584737) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 2-(2-oxopiperazin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxopiperazin-1-yl)acetate
PubChem CID10584737
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl 2-(2-oxopiperazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCNCC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)7-12-5-4-11-6-8(12)13/h11H,4-7H2,1-3H3
InChIKeyGCQGGODJFXCQIE-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
CID 54759045
1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 66660500
N,N-diethyl-2-(2-oxopiperazin-1-yl)acetamide
CID 62311999
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
N-methyl-2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62310011
tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate
CID 54293727
N-(2-methylcyclopropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 119732239
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
N-(3-methoxypropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 62310212
1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 124590607
[1-chloro-3-(2-oxopiperazin-1-yl)propan-2-yl] 2,2-dimethylpropanoate
CID 174567214
ditert-butyl 2-(2-oxopiperazin-1-yl)ethyl phosphate
CID 68640146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxopiperazin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(2-oxopiperazin-1-yl)acetate (CID 10584737) is tert-butyl 2-(2-oxopiperazin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-oxopiperazin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-oxopiperazin-1-yl)acetate is CC(C)(C)OC(=O)CN1CCNCC1=O.
What is the InChIKey of tert-butyl 2-(2-oxopiperazin-1-yl)acetate?
The InChIKey is GCQGGODJFXCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)7-12-5-4-11-6-8(12)13/h11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxopiperazin-1-yl)acetate?
tert-butyl 2-(2-oxopiperazin-1-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxopiperazin-1-yl)acetate is sourced from PubChem (CID 10584737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).