5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid

C10H14N2O3 — CID 107439682

IUPAC5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
SMILESC#CCCCN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-9(13)11-6-8(12)10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15)
InChIKeyODHZFPMOOMCWIJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.72
Rot. Bonds4

About 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid

5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid (PubChem CID 107439682) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
PubChem CID107439682
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
SMILESC#CCCCN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-9(13)11-6-8(12)10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15)
InChIKeyODHZFPMOOMCWIJ-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
1-(3-methylsulfonylpropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439659
5-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-2-carboxylic acid
CID 107439870
1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843
1-[(E)-but-2-enyl]-5-oxopiperazine-2-carboxylic acid
CID 107439980
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439547
1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439854
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439729
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439653
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439869

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid (CID 107439682) is 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid is C#CCCCN1CC(=O)NCC1C(=O)O.
What is the InChIKey of 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid?
The InChIKey is ODHZFPMOOMCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-9(13)11-6-8(12)10(14)15/h1,8H,3-7H2,(H,11,13)(H,14,15).
What are the key properties of 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid?
5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid is sourced from PubChem (CID 107439682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).