1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid

C9H16N2O2 — CID 175786910

IUPAC1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1N1CCNCC1
InChIInChI=1S/C9H16N2O2/c1-9(8(12)13)6-7(9)11-4-2-10-3-5-11/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyROPAQXXCTAPMGA-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.25
Rot. Bonds2

About 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid

1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid (PubChem CID 175786910) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
PubChem CID175786910
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
SMILESCC1(C(=O)O)CC1N1CCNCC1
InChIInChI=1S/C9H16N2O2/c1-9(8(12)13)6-7(9)11-4-2-10-3-5-11/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyROPAQXXCTAPMGA-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid (CID 175786910) is 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid is CC1(C(=O)O)CC1N1CCNCC1.
What is the InChIKey of 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is ROPAQXXCTAPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(8(12)13)6-7(9)11-4-2-10-3-5-11/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid?
1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 175786910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).