2-(2-prop-2-enoylhydrazinyl)acetic acid

C5H8N2O3 — CID 87929228

IUPAC2-(2-prop-2-enoylhydrazinyl)acetic acid
SMILESC=CC(=O)NNCC(=O)O
InChIInChI=1S/C5H8N2O3/c1-2-4(8)7-6-3-5(9)10/h2,6H,1,3H2,(H,7,8)(H,9,10)
InChIKeyKFOLBTVOSWLDSY-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.12
Rot. Bonds4

About 2-(2-prop-2-enoylhydrazinyl)acetic acid

2-(2-prop-2-enoylhydrazinyl)acetic acid (PubChem CID 87929228) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(2-prop-2-enoylhydrazinyl)acetic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoylhydrazinyl)acetic acid
PubChem CID87929228
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-(2-prop-2-enoylhydrazinyl)acetic acid
SMILESC=CC(=O)NNCC(=O)O
InChIInChI=1S/C5H8N2O3/c1-2-4(8)7-6-3-5(9)10/h2,6H,1,3H2,(H,7,8)(H,9,10)
InChIKeyKFOLBTVOSWLDSY-UHFFFAOYSA-N
XLogP-1.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoylhydrazinyl)acetic acid?
The IUPAC name of 2-(2-prop-2-enoylhydrazinyl)acetic acid (CID 87929228) is 2-(2-prop-2-enoylhydrazinyl)acetic acid.
What is the SMILES notation for 2-(2-prop-2-enoylhydrazinyl)acetic acid?
The canonical SMILES for 2-(2-prop-2-enoylhydrazinyl)acetic acid is C=CC(=O)NNCC(=O)O.
What is the InChIKey of 2-(2-prop-2-enoylhydrazinyl)acetic acid?
The InChIKey is KFOLBTVOSWLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-2-4(8)7-6-3-5(9)10/h2,6H,1,3H2,(H,7,8)(H,9,10).
What are the key properties of 2-(2-prop-2-enoylhydrazinyl)acetic acid?
2-(2-prop-2-enoylhydrazinyl)acetic acid has a molecular weight of 144.13 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoylhydrazinyl)acetic acid is sourced from PubChem (CID 87929228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).