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

C10H17N3O4 — CID 2954797

IUPACmethyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCNC(=O)N1CCNC(=O)C1CC(=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)
InChIKeyRSMBLBWVWNZVOE-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.92
Rot. Bonds3

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

methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 2954797) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID2954797
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCNC(=O)N1CCNC(=O)C1CC(=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)
InChIKeyRSMBLBWVWNZVOE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate (CID 2954797) is methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate is CCNC(=O)N1CCNC(=O)C1CC(=O)OC.
What is the InChIKey of methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is RSMBLBWVWNZVOE-UHFFFAOYSA-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).
What are the key properties of methyl 2-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[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-[1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).