[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate

C3H5IN2O3 — CID 163547061

IUPAC[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)O/N=I/N
InChIInChI=1S/C3H5IN2O3/c1-2(7)3(8)9-6-4-5/h7H,1H2,(H2,5,6)
InChIKeyFFXUUMOHQZFCGU-UHFFFAOYSA-N
MW243.99 g/mol
LogP0.54
Rot. Bonds2

About [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate

[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate (PubChem CID 163547061) has the molecular formula C3H5IN2O3 and a molecular weight of 243.99 g/mol. Its IUPAC name is [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Name[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate
PubChem CID163547061
Molecular FormulaC3H5IN2O3
Molecular Weight243.99 g/mol
Exact Mass243.93
IUPAC Name[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate
SMILESC=C(O)C(=O)O/N=I/N
InChIInChI=1S/C3H5IN2O3/c1-2(7)3(8)9-6-4-5/h7H,1H2,(H2,5,6)
InChIKeyFFXUUMOHQZFCGU-UHFFFAOYSA-N
XLogP0.54
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.99
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate 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

methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
silyl 2-hydroxyprop-2-enoate
CID 174411527
(diaminomethylideneamino) 2-methylprop-2-enoate
CID 87840247
butyl 2-hydroxyprop-2-enoate
CID 18317140
carbamic acid;formaldehyde
CID 173133375
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
3-methoxypropyl 2-hydroxyprop-2-enoate
CID 21271092
ruthenium;urea
CID 161030938
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
CID 173073791
2-cyanatoethyl 2-hydroxyprop-2-enoate
CID 171814373
azane;carbamic acid;ethene
CID 173074759

Frequently Asked Questions

What is the IUPAC name of [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate?
The IUPAC name of [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate (CID 163547061) is [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate.
What is the SMILES notation for [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate?
The canonical SMILES for [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate is C=C(O)C(=O)O/N=I/N.
What is the InChIKey of [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate?
The InChIKey is FFXUUMOHQZFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN2O3/c1-2(7)3(8)9-6-4-5/h7H,1H2,(H2,5,6).
What are the key properties of [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate?
[(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate has a molecular weight of 243.99 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(amino-λ3-iodanylidene)amino] 2-hydroxyprop-2-enoate is sourced from PubChem (CID 163547061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).