1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

C11H20N4O3 — CID 83019685

IUPAC1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN(NC(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H20N4O3/c1-14-4-6-15(7-5-14)13-10(18)12-8-11(2-3-11)9(16)17/h2-8H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySHICNALNIDSLTK-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.69
Rot. Bonds4

About 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 83019685) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID83019685
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCN(NC(=O)NCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C11H20N4O3/c1-14-4-6-15(7-5-14)13-10(18)12-8-11(2-3-11)9(16)17/h2-8H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeySHICNALNIDSLTK-UHFFFAOYSA-N
XLogP-0.69
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 83019685) is 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is CN1CCN(NC(=O)NCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SHICNALNIDSLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-14-4-6-15(7-5-14)13-10(18)12-8-11(2-3-11)9(16)17/h2-8H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83019685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).