ethyl 2-(2-oxopiperazin-1-yl)propanoate

C9H16N2O3 — CID 18423276

IUPACethyl 2-(2-oxopiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCNCC1=O
InChIInChI=1S/C9H16N2O3/c1-3-14-9(13)7(2)11-5-4-10-6-8(11)12/h7,10H,3-6H2,1-2H3
InChIKeyKBYXNMJKIKRJFG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds3

About ethyl 2-(2-oxopiperazin-1-yl)propanoate

ethyl 2-(2-oxopiperazin-1-yl)propanoate (PubChem CID 18423276) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-(2-oxopiperazin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-oxopiperazin-1-yl)propanoate
PubChem CID18423276
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-(2-oxopiperazin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCNCC1=O
InChIInChI=1S/C9H16N2O3/c1-3-14-9(13)7(2)11-5-4-10-6-8(11)12/h7,10H,3-6H2,1-2H3
InChIKeyKBYXNMJKIKRJFG-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopiperazin-1-yl)propanoate?
The IUPAC name of ethyl 2-(2-oxopiperazin-1-yl)propanoate (CID 18423276) is ethyl 2-(2-oxopiperazin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-oxopiperazin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(2-oxopiperazin-1-yl)propanoate is CCOC(=O)C(C)N1CCNCC1=O.
What is the InChIKey of ethyl 2-(2-oxopiperazin-1-yl)propanoate?
The InChIKey is KBYXNMJKIKRJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-14-9(13)7(2)11-5-4-10-6-8(11)12/h7,10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-oxopiperazin-1-yl)propanoate?
ethyl 2-(2-oxopiperazin-1-yl)propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopiperazin-1-yl)propanoate is sourced from PubChem (CID 18423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).