2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H19N3O4 — CID 60953640

IUPAC2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyJZVIYXLQCVZWGF-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.42
Rot. Bonds3

About 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60953640) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60953640
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyJZVIYXLQCVZWGF-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 60953640) is 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is CCNC(=O)N1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZVIYXLQCVZWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-13-12(19)15-5-3-14(4-6-15)10(16)8-7-9(8)11(17)18/h8-9H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60953640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).