2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid

C11H18N2O4 — CID 69392281

IUPAC2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid
SMILESCCOC(=O)C1(C2CNCCN2C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-17-9(14)11(3-4-11)8-7-12-5-6-13(8)10(15)16/h8,12H,2-7H2,1H3,(H,15,16)
InChIKeyTWTSYYNGZMTSIR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.28
Rot. Bonds3

About 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid

2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid (PubChem CID 69392281) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid
PubChem CID69392281
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid
SMILESCCOC(=O)C1(C2CNCCN2C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-17-9(14)11(3-4-11)8-7-12-5-6-13(8)10(15)16/h8,12H,2-7H2,1H3,(H,15,16)
InChIKeyTWTSYYNGZMTSIR-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid (CID 69392281) is 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid is CCOC(=O)C1(C2CNCCN2C(=O)O)CC1.
What is the InChIKey of 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid?
The InChIKey is TWTSYYNGZMTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-17-9(14)11(3-4-11)8-7-12-5-6-13(8)10(15)16/h8,12H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid?
2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycarbonylcyclopropyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69392281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).