2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid

C9H14N2O5 — CID 19422557

IUPAC2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-2-16-7(12)5-6-8(13)10-3-4-11(6)9(14)15/h6H,2-5H2,1H3,(H,10,13)(H,14,15)
InChIKeyQRPXOHZJRVBFNT-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.58
Rot. Bonds3

About 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid (PubChem CID 19422557) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid
PubChem CID19422557
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-2-16-7(12)5-6-8(13)10-3-4-11(6)9(14)15/h6H,2-5H2,1H3,(H,10,13)(H,14,15)
InChIKeyQRPXOHZJRVBFNT-UHFFFAOYSA-N
XLogP-0.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid (CID 19422557) is 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid is CCOC(=O)CC1C(=O)NCCN1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid?
The InChIKey is QRPXOHZJRVBFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-2-16-7(12)5-6-8(13)10-3-4-11(6)9(14)15/h6H,2-5H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 19422557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).