2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

C12H18N2O5 — CID 54918475

IUPAC2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-2-19-12(18)14-5-3-13(4-6-14)10(15)8-7-9(8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyKTTSZGDBEXKIRX-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.01
Rot. Bonds3

About 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 54918475) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID54918475
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-2-19-12(18)14-5-3-13(4-6-14)10(15)8-7-9(8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyKTTSZGDBEXKIRX-UHFFFAOYSA-N
XLogP0.01
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 54918475) is 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is KTTSZGDBEXKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-19-12(18)14-5-3-13(4-6-14)10(15)8-7-9(8)11(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54918475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).