3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid

C11H22N4O3 — CID 83019834

IUPAC3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H22N4O3/c1-3-9(8-10(16)17)12-11(18)13-15-6-4-14(2)5-7-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyLHWRZIPBFHKDGV-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.30
Rot. Bonds5

About 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid

3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (PubChem CID 83019834) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
PubChem CID83019834
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H22N4O3/c1-3-9(8-10(16)17)12-11(18)13-15-6-4-14(2)5-7-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyLHWRZIPBFHKDGV-UHFFFAOYSA-N
XLogP-0.30
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid (CID 83019834) is 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is CCC(CC(=O)O)NC(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
The InChIKey is LHWRZIPBFHKDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-3-9(8-10(16)17)12-11(18)13-15-6-4-14(2)5-7-15/h9H,3-8H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid?
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 83019834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).