azanium 1-carboxyethenyl hydrogen phosphate

C3H8NO6P — CID 139201164

IUPACazanium 1-carboxyethenyl hydrogen phosphate
SMILESC=C(OP(=O)([O-])O)C(=O)O.[NH4+]
InChIInChI=1S/C3H5O6P.H3N/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);1H3
InChIKeyRZAXQKLCZFARDZ-UHFFFAOYSA-N
MW185.07 g/mol
LogP-0.56
Rot. Bonds3

About azanium 1-carboxyethenyl hydrogen phosphate

azanium 1-carboxyethenyl hydrogen phosphate (PubChem CID 139201164) has the molecular formula C3H8NO6P and a molecular weight of 185.07 g/mol. Its IUPAC name is azanium 1-carboxyethenyl hydrogen phosphate.

Molecular Properties

Compound Nameazanium 1-carboxyethenyl hydrogen phosphate
PubChem CID139201164
Molecular FormulaC3H8NO6P
Molecular Weight185.07 g/mol
Exact Mass185.01
IUPAC Nameazanium 1-carboxyethenyl hydrogen phosphate
SMILESC=C(OP(=O)([O-])O)C(=O)O.[NH4+]
InChIInChI=1S/C3H5O6P.H3N/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);1H3
InChIKeyRZAXQKLCZFARDZ-UHFFFAOYSA-N
XLogP-0.56
TPSA143.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze azanium 1-carboxyethenyl hydrogen phosphate with MolForge

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

Launch Full Analysis

Related Compounds

barium(2+);2-phosphonooxyprop-2-enoic acid;silver
CID 54606075
triazanium;hydrogen carbonate;hydrogen phosphate
CID 161106274
diazanium;oxido hydrogen phosphate
CID 11491954
potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
disodium;2-phosphonooxyprop-2-enoate
CID 21118426
silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
CID 45048925
diazanium;hydrogen phosphate;sulfane
CID 173018779
triazanium;phosphoric acid;phosphate
CID 18943137
lithium;fluoro(hydroxy)phosphinate;fluorophosphonic acid;oxalic acid
CID 175045529
methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
[hydroxy(oxido)phosphoryl]oxy-methylphosphinate
CID 20587792
sodium phosphonooxy hydrogen phosphate
CID 159276907

Frequently Asked Questions

What is the IUPAC name of azanium 1-carboxyethenyl hydrogen phosphate?
The IUPAC name of azanium 1-carboxyethenyl hydrogen phosphate (CID 139201164) is azanium 1-carboxyethenyl hydrogen phosphate.
What is the SMILES notation for azanium 1-carboxyethenyl hydrogen phosphate?
The canonical SMILES for azanium 1-carboxyethenyl hydrogen phosphate is C=C(OP(=O)([O-])O)C(=O)O.[NH4+].
What is the InChIKey of azanium 1-carboxyethenyl hydrogen phosphate?
The InChIKey is RZAXQKLCZFARDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O6P.H3N/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);1H3.
What are the key properties of azanium 1-carboxyethenyl hydrogen phosphate?
azanium 1-carboxyethenyl hydrogen phosphate has a molecular weight of 185.07 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1-carboxyethenyl hydrogen phosphate is sourced from PubChem (CID 139201164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).