2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid

C9H14N2O3 — CID 2050807

IUPAC2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
SMILESC=CCN1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C9H14N2O3/c1-2-3-10-4-6-11(7-5-10)8(12)9(13)14/h2H,1,3-7H2,(H,13,14)
InChIKeyZRQNAJASGGYWTI-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.60
Rot. Bonds2

About 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid

2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid (PubChem CID 2050807) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
PubChem CID2050807
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid
SMILESC=CCN1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C9H14N2O3/c1-2-3-10-4-6-11(7-5-10)8(12)9(13)14/h2H,1,3-7H2,(H,13,14)
InChIKeyZRQNAJASGGYWTI-UHFFFAOYSA-N
XLogP-0.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
CID 6466246
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 28842887
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-prop-2-enylpiperidine;urea
CID 66978518
2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 61174513
dimethyl (E)-2-(4-prop-2-enylpiperazin-1-yl)but-2-enedioate
CID 101413418
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid (CID 2050807) is 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid is C=CCN1CCN(C(=O)C(=O)O)CC1.
What is the InChIKey of 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid?
The InChIKey is ZRQNAJASGGYWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-3-10-4-6-11(7-5-10)8(12)9(13)14/h2H,1,3-7H2,(H,13,14).
What are the key properties of 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid?
2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid has a molecular weight of 198.22 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-prop-2-enylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 2050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).