2-methyl-5-piperazin-1-ylpent-2-enoic acid

C10H18N2O2 — CID 56998205

IUPAC2-methyl-5-piperazin-1-ylpent-2-enoic acid
SMILESCC(=CCCN1CCNCC1)C(=O)O
InChIInChI=1S/C10H18N2O2/c1-9(10(13)14)3-2-6-12-7-4-11-5-8-12/h3,11H,2,4-8H2,1H3,(H,13,14)
InChIKeyQEWFTLBTEYQZBK-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds4

About 2-methyl-5-piperazin-1-ylpent-2-enoic acid

2-methyl-5-piperazin-1-ylpent-2-enoic acid (PubChem CID 56998205) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-ylpent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-ylpent-2-enoic acid
PubChem CID56998205
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methyl-5-piperazin-1-ylpent-2-enoic acid
SMILESCC(=CCCN1CCNCC1)C(=O)O
InChIInChI=1S/C10H18N2O2/c1-9(10(13)14)3-2-6-12-7-4-11-5-8-12/h3,11H,2,4-8H2,1H3,(H,13,14)
InChIKeyQEWFTLBTEYQZBK-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-ylpent-2-enoic acid?
The IUPAC name of 2-methyl-5-piperazin-1-ylpent-2-enoic acid (CID 56998205) is 2-methyl-5-piperazin-1-ylpent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-piperazin-1-ylpent-2-enoic acid?
The canonical SMILES for 2-methyl-5-piperazin-1-ylpent-2-enoic acid is CC(=CCCN1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-5-piperazin-1-ylpent-2-enoic acid?
The InChIKey is QEWFTLBTEYQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(10(13)14)3-2-6-12-7-4-11-5-8-12/h3,11H,2,4-8H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-piperazin-1-ylpent-2-enoic acid?
2-methyl-5-piperazin-1-ylpent-2-enoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-ylpent-2-enoic acid is sourced from PubChem (CID 56998205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).