4-prop-2-enoylpiperazine-2-carboxylic acid

C8H12N2O3 — CID 175942423

IUPAC4-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-9-6(5-10)8(12)13/h2,6,9H,1,3-5H2,(H,12,13)
InChIKeyUGJSMGPMTKVGIQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.94
Rot. Bonds2

About 4-prop-2-enoylpiperazine-2-carboxylic acid

4-prop-2-enoylpiperazine-2-carboxylic acid (PubChem CID 175942423) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-prop-2-enoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enoylpiperazine-2-carboxylic acid
PubChem CID175942423
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-9-6(5-10)8(12)13/h2,6,9H,1,3-5H2,(H,12,13)
InChIKeyUGJSMGPMTKVGIQ-UHFFFAOYSA-N
XLogP-0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.94
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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Related Compounds

Antibiotic A 19009
CID 6439822
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
5-Prop-2-enylpiperazine-1,3-dicarboxylic acid
CID 21882452
2-[2-Oxo-3-(2-oxoethenyl)piperazin-1-yl]acetic acid
CID 54066462
1-Propanoylpiperazine-2-carboxylic acid
CID 65629188
1-Prop-2-enylpiperazine-2-carboxylic acid
CID 65629696
1-Prop-2-enoylpiperazine-2-carboxylic acid
CID 65636411
4-Prop-2-enylpiperazine-2-carboxylic acid
CID 70599934
4-Propanoylpiperazine-2-carboxylic acid
CID 84111885
6-Oxo-4-propan-2-ylpiperazine-2-carboxylic acid
CID 84111901
2-Amino-3-(prop-2-enoylamino)propanoic acid
CID 88297063
3-Carbamoyl-4-prop-2-enoylpiperazine-1-carboxylic acid
CID 90455861

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoylpiperazine-2-carboxylic acid?
The IUPAC name of 4-prop-2-enoylpiperazine-2-carboxylic acid (CID 175942423) is 4-prop-2-enoylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-prop-2-enoylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-prop-2-enoylpiperazine-2-carboxylic acid is C=CC(=O)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-prop-2-enoylpiperazine-2-carboxylic acid?
The InChIKey is UGJSMGPMTKVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-7(11)10-4-3-9-6(5-10)8(12)13/h2,6,9H,1,3-5H2,(H,12,13).
What are the key properties of 4-prop-2-enoylpiperazine-2-carboxylic acid?
4-prop-2-enoylpiperazine-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 175942423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).