2-(4-pent-4-enoylpiperazin-1-yl)acetic acid

C11H18N2O3 — CID 62685680

IUPAC2-(4-pent-4-enoylpiperazin-1-yl)acetic acid
SMILESC=CCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-3-4-10(14)13-7-5-12(6-8-13)9-11(15)16/h2H,1,3-9H2,(H,15,16)
InChIKeyBLCKNXXDEULGJM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.18
Rot. Bonds5

About 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid

2-(4-pent-4-enoylpiperazin-1-yl)acetic acid (PubChem CID 62685680) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pent-4-enoylpiperazin-1-yl)acetic acid
PubChem CID62685680
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(4-pent-4-enoylpiperazin-1-yl)acetic acid
SMILESC=CCCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-3-4-10(14)13-7-5-12(6-8-13)9-11(15)16/h2H,1,3-9H2,(H,15,16)
InChIKeyBLCKNXXDEULGJM-UHFFFAOYSA-N
XLogP0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Prop-2-enylpiperazine-1,2,4-tricarboxylic acid
CID 21882450
2-[Pent-4-enoyl(propyl)amino]acetic acid
CID 62683988
N-Methyl-N-pent-4-enoylglycine
CID 62684150
4-But-3-enyl-3-oxopiperazine-1-carboxylic acid
CID 68442727
Methyl 6-hydroxy-4-methyl-3-oxo-2-prop-2-enylpiperazine-1-carboxylate
CID 69668650
2-[Pent-4-enoyl(prop-2-enyl)amino]acetic acid
CID 79256575
2-[Butyl(pent-4-enoyl)amino]acetic acid
CID 135300579
2-[Pent-4-enoyl(pentyl)amino]acetic acid
CID 142490934
2-[4-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521823
2-(4-Pent-4-enoylpiperazin-1-yl)propanoic acid
CID 55102955
1-[4-(2-Hydroxyethyl)piperazin-1-yl]pent-4-en-1-one
CID 62677979
2-(4-But-3-enoylpiperazin-1-yl)propanoic acid
CID 62679485

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid (CID 62685680) is 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid is C=CCCC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid?
The InChIKey is BLCKNXXDEULGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-3-4-10(14)13-7-5-12(6-8-13)9-11(15)16/h2H,1,3-9H2,(H,15,16).
What are the key properties of 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid?
2-(4-pent-4-enoylpiperazin-1-yl)acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-4-enoylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 62685680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).