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

C8H12N2O3 — CID 175987338

IUPAC2-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)C1(C(=O)O)CNCCN1
InChIInChI=1S/C8H12N2O3/c1-2-6(11)8(7(12)13)5-9-3-4-10-8/h2,9-10H,1,3-5H2,(H,12,13)
InChIKeyQHHIGMOSFOTEPE-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.24
Rot. Bonds3

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

2-prop-2-enoylpiperazine-2-carboxylic acid (PubChem CID 175987338) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-prop-2-enoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name2-prop-2-enoylpiperazine-2-carboxylic acid
PubChem CID175987338
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)C1(C(=O)O)CNCCN1
InChIInChI=1S/C8H12N2O3/c1-2-6(11)8(7(12)13)5-9-3-4-10-8/h2,9-10H,1,3-5H2,(H,12,13)
InChIKeyQHHIGMOSFOTEPE-UHFFFAOYSA-N
XLogP-1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-carbamoylpiperazine-2-carboxylic acid
CID 70138220
(2-methylpiperazin-2-yl) prop-2-enoate
CID 175361113
1-(2-iodo-1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
CID 166721647
piperazine;prop-2-enamide
CID 18915240
formamide;piperazine;prop-2-enoic acid
CID 175053391
3-but-3-en-2-ylpiperidine-3-carboxylic acid
CID 88977970
2-[[2,2-di(prop-2-enoyl)piperazin-1-yl]methyl]prop-2-enoic acid
CID 67229124
prop-2-enoic acid;pyrrolidine
CID 159655910
tris(prop-2-enoic acid);1,3,5-triazinane
CID 174985722
methylalumane;tris(prop-2-enoic acid);hydrochloride
CID 173359829
3-methylsulfanylpyrrolidine-3-carboxylic acid
CID 68632027
1-(2-ethylpyrrolidin-2-yl)prop-2-en-1-one
CID 116608144

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoylpiperazine-2-carboxylic acid?
The IUPAC name of 2-prop-2-enoylpiperazine-2-carboxylic acid (CID 175987338) is 2-prop-2-enoylpiperazine-2-carboxylic acid.
What is the SMILES notation for 2-prop-2-enoylpiperazine-2-carboxylic acid?
The canonical SMILES for 2-prop-2-enoylpiperazine-2-carboxylic acid is C=CC(=O)C1(C(=O)O)CNCCN1.
What is the InChIKey of 2-prop-2-enoylpiperazine-2-carboxylic acid?
The InChIKey is QHHIGMOSFOTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-6(11)8(7(12)13)5-9-3-4-10-8/h2,9-10H,1,3-5H2,(H,12,13).
What are the key properties of 2-prop-2-enoylpiperazine-2-carboxylic acid?
2-prop-2-enoylpiperazine-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 175987338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).