methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate

C10H17N3O4 — CID 944840

IUPACmethyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC
InChIInChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1
InChIKeyRSMBLBWVWNZVOE-SSDOTTSWSA-N
MW243.26 g/mol
LogP-0.92
Rot. Bonds3

About methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 944840) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID944840
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC
InChIInChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1
InChIKeyRSMBLBWVWNZVOE-SSDOTTSWSA-N
XLogP-0.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
2-Quinoxalineacetic acid, 1-[(ethylamino)carbonyl]decahydro-3-oxo-, ethyl ester
CID 2969387
Ethyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 4889004
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762
Methyl [1-(ethylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 4890888
Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 2950779
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate (CID 944840) is methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate is CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is RSMBLBWVWNZVOE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1.
What are the key properties of methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 243.26 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 944840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).