2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid

C15H24N2O7 — CID 57212021

IUPAC2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)CC1C(=O)N(CC(=O)OC(C)(C)C)CCN1C(=O)O
InChIInChI=1S/C15H24N2O7/c1-5-23-11(18)8-10-13(20)16(6-7-17(10)14(21)22)9-12(19)24-15(2,3)4/h10H,5-9H2,1-4H3,(H,21,22)
InChIKeySQPZRAQVIQOMQL-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid

2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid (PubChem CID 57212021) has the molecular formula C15H24N2O7 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid
PubChem CID57212021
Molecular FormulaC15H24N2O7
Molecular Weight344.36 g/mol
Exact Mass344.16
IUPAC Name2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid
SMILESCCOC(=O)CC1C(=O)N(CC(=O)OC(C)(C)C)CCN1C(=O)O
InChIInChI=1S/C15H24N2O7/c1-5-23-11(18)8-10-13(20)16(6-7-17(10)14(21)22)9-12(19)24-15(2,3)4/h10H,5-9H2,1-4H3,(H,21,22)
InChIKeySQPZRAQVIQOMQL-UHFFFAOYSA-N
XLogP0.47
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid (CID 57212021) is 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid is CCOC(=O)CC1C(=O)N(CC(=O)OC(C)(C)C)CCN1C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid?
The InChIKey is SQPZRAQVIQOMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7/c1-5-23-11(18)8-10-13(20)16(6-7-17(10)14(21)22)9-12(19)24-15(2,3)4/h10H,5-9H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid?
2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid has a molecular weight of 344.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 57212021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).