5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid

C10H18N2O3 — CID 21441693

IUPAC5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid
SMILESCN1CCN(CCCC(=O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-11-5-7-12(8-6-11)4-2-3-9(13)10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyPJCFPGPNIQNAAW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.33
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid

5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid (PubChem CID 21441693) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid
PubChem CID21441693
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid
SMILESCN1CCN(CCCC(=O)C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-11-5-7-12(8-6-11)4-2-3-9(13)10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyPJCFPGPNIQNAAW-UHFFFAOYSA-N
XLogP-0.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid (CID 21441693) is 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid is CN1CCN(CCCC(=O)C(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid?
The InChIKey is PJCFPGPNIQNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-5-7-12(8-6-11)4-2-3-9(13)10(14)15/h2-8H2,1H3,(H,14,15).
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid?
5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-oxopentanoic acid is sourced from PubChem (CID 21441693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).