N-hydroxyprop-2-enamide;prop-2-enoic acid

C6H9NO4 — CID 161147036

IUPACN-hydroxyprop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)NO.C=CC(=O)O
InChIInChI=1S/C3H5NO2.C3H4O2/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H,4,5)
InChIKeyUOERIHCRMQZTMF-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.07
Rot. Bonds2

About N-hydroxyprop-2-enamide;prop-2-enoic acid

N-hydroxyprop-2-enamide;prop-2-enoic acid (PubChem CID 161147036) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is N-hydroxyprop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound NameN-hydroxyprop-2-enamide;prop-2-enoic acid
PubChem CID161147036
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC NameN-hydroxyprop-2-enamide;prop-2-enoic acid
SMILESC=CC(=O)NO.C=CC(=O)O
InChIInChI=1S/C3H5NO2.C3H4O2/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H,4,5)
InChIKeyUOERIHCRMQZTMF-UHFFFAOYSA-N
XLogP-0.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hydroxyprop-2-enamide;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxyprop-2-enamide;prop-2-enoic acid?
The IUPAC name of N-hydroxyprop-2-enamide;prop-2-enoic acid (CID 161147036) is N-hydroxyprop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for N-hydroxyprop-2-enamide;prop-2-enoic acid?
The canonical SMILES for N-hydroxyprop-2-enamide;prop-2-enoic acid is C=CC(=O)NO.C=CC(=O)O.
What is the InChIKey of N-hydroxyprop-2-enamide;prop-2-enoic acid?
The InChIKey is UOERIHCRMQZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C3H4O2/c1-2-3(5)4-6;1-2-3(4)5/h2,6H,1H2,(H,4,5);2H,1H2,(H,4,5).
What are the key properties of N-hydroxyprop-2-enamide;prop-2-enoic acid?
N-hydroxyprop-2-enamide;prop-2-enoic acid has a molecular weight of 159.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyprop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 161147036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).