azane;2-hydroxyprop-2-enoic acid

C3H7NO3 — CID 158386305

IUPACazane;2-hydroxyprop-2-enoic acid
SMILESC=C(O)C(=O)O.N
InChIInChI=1S/C3H4O3.H3N/c1-2(4)3(5)6;/h4H,1H2,(H,5,6);1H3
InChIKeyGWKKOICCXVBFCL-UHFFFAOYSA-N
MW105.09 g/mol
LogP0.30
Rot. Bonds1

About azane;2-hydroxyprop-2-enoic acid

azane;2-hydroxyprop-2-enoic acid (PubChem CID 158386305) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is azane;2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Nameazane;2-hydroxyprop-2-enoic acid
PubChem CID158386305
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Nameazane;2-hydroxyprop-2-enoic acid
SMILESC=C(O)C(=O)O.N
InChIInChI=1S/C3H4O3.H3N/c1-2(4)3(5)6;/h4H,1H2,(H,5,6);1H3
InChIKeyGWKKOICCXVBFCL-UHFFFAOYSA-N
XLogP0.30
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
azane;2-methylidenebut-3-enoic acid
CID 88748987
(3Z,7Z)-2,5,6,9-tetramethylidenedeca-3,7-dienedioic acid
CID 142923981
2-hydroxyprop-2-enoic acid;oxolane
CID 174891216
1,1'-biphenyl;2-hydroxyprop-2-enoic acid
CID 175089915
azane;oxalic acid;dihydrate
CID 173006602
azane;carbonic acid;oxalic acid
CID 174837249
azane;iron;oxalic acid
CID 87090690
CID 170845858
CID 170845858
2-methylidenepropanedioic acid;hydrate
CID 158875494
2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid
CID 161085591
azane;carbonic acid
CID 173237446

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyprop-2-enoic acid?
The IUPAC name of azane;2-hydroxyprop-2-enoic acid (CID 158386305) is azane;2-hydroxyprop-2-enoic acid.
What is the SMILES notation for azane;2-hydroxyprop-2-enoic acid?
The canonical SMILES for azane;2-hydroxyprop-2-enoic acid is C=C(O)C(=O)O.N.
What is the InChIKey of azane;2-hydroxyprop-2-enoic acid?
The InChIKey is GWKKOICCXVBFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.H3N/c1-2(4)3(5)6;/h4H,1H2,(H,5,6);1H3.
What are the key properties of azane;2-hydroxyprop-2-enoic acid?
azane;2-hydroxyprop-2-enoic acid has a molecular weight of 105.09 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 158386305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).