[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate

C4H5NO4 — CID 176652558

IUPAC[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate
SMILESNC(=O)/C(O)=C/OC=O
InChIInChI=1S/C4H5NO4/c5-4(8)3(7)1-9-2-6/h1-2,7H,(H2,5,8)/b3-1-
InChIKeyDFTJAXXHHNISME-IWQZZHSRSA-N
MW131.09 g/mol
LogP-0.96
Rot. Bonds3

About [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate

[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate (PubChem CID 176652558) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate.

Molecular Properties

Compound Name[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate
PubChem CID176652558
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate
SMILESNC(=O)/C(O)=C/OC=O
InChIInChI=1S/C4H5NO4/c5-4(8)3(7)1-9-2-6/h1-2,7H,(H2,5,8)/b3-1-
InChIKeyDFTJAXXHHNISME-IWQZZHSRSA-N
XLogP-0.96
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formyl formate
CID 90024423
(E)-2-fluoro-3-formyloxyprop-2-enoic acid
CID 155767663
formyl formate;hydrate
CID 158985007
(Z)-2-hydroxybut-2-enediamide
CID 142800168
(E)-4-amino-3-hydroxy-4-oxobut-2-enoic acid
CID 174851391
2-hydroxybut-2-enamide;hydrochloride
CID 177282590
2-(formyloxymethylidene)butanedioic acid
CID 58283072
dimethyl 2-(formyloxymethylidene)propanedioate
CID 54473959
carboxy formate;nickel
CID 88728514
[(Z)-2-methoxyprop-1-enyl] formate
CID 142147654
ruthenium;urea
CID 161030938
potassium;carbamoyl formate;hydride
CID 174868765

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate?
The IUPAC name of [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate (CID 176652558) is [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate.
What is the SMILES notation for [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate?
The canonical SMILES for [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate is NC(=O)/C(O)=C/OC=O.
What is the InChIKey of [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate?
The InChIKey is DFTJAXXHHNISME-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H5NO4/c5-4(8)3(7)1-9-2-6/h1-2,7H,(H2,5,8)/b3-1-.
What are the key properties of [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate?
[(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate has a molecular weight of 131.09 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-2-hydroxy-3-oxoprop-1-enyl] formate is sourced from PubChem (CID 176652558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).