azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid

C5H12N2O5 — CID 173371480

IUPACazane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
SMILESN.N.O=C(O)/C=C(/CO)C(=O)O
InChIInChI=1S/C5H6O5.2H3N/c6-2-3(5(9)10)1-4(7)8;;/h1,6H,2H2,(H,7,8)(H,9,10);2*1H3/b3-1-;;
InChIKeyQOKRODRGURJDCL-KUGGNXEISA-N
MW180.16 g/mol
LogP-0.60
Rot. Bonds3

About azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid

azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid (PubChem CID 173371480) has the molecular formula C5H12N2O5 and a molecular weight of 180.16 g/mol. Its IUPAC name is azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid.

Molecular Properties

Compound Nameazane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
PubChem CID173371480
Molecular FormulaC5H12N2O5
Molecular Weight180.16 g/mol
Exact Mass180.07
IUPAC Nameazane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
SMILESN.N.O=C(O)/C=C(/CO)C(=O)O
InChIInChI=1S/C5H6O5.2H3N/c6-2-3(5(9)10)1-4(7)8;;/h1,6H,2H2,(H,7,8)(H,9,10);2*1H3/b3-1-;;
InChIKeyQOKRODRGURJDCL-KUGGNXEISA-N
XLogP-0.60
TPSA164.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
(E)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid
CID 22867772
(Z)-2-(2-bromoethyl)but-2-enedioic acid
CID 19955329
(E)-2-(4-methylpentyl)but-2-enedioic acid
CID 88826565
(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
CID 163903255
(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
CID 134261232
2-(sulfomethyl)but-2-enedioic acid
CID 57117469
(Z)-2-butylbut-2-enedioic acid;hydrate
CID 174840725
2-(3-oxoprop-2-enyl)but-2-enedioic acid
CID 91102033
(Z)-2-decylbut-2-enedioic acid
CID 18386424
2-but-3-ynylbut-2-enedioic acid
CID 54269850
sodium;ethanol;hydride;(E)-2-octadecylbut-2-enedioic acid
CID 174786608

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid?
The IUPAC name of azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid (CID 173371480) is azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid.
What is the SMILES notation for azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid?
The canonical SMILES for azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid is N.N.O=C(O)/C=C(/CO)C(=O)O.
What is the InChIKey of azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid?
The InChIKey is QOKRODRGURJDCL-KUGGNXEISA-N. The full InChI is InChI=1S/C5H6O5.2H3N/c6-2-3(5(9)10)1-4(7)8;;/h1,6H,2H2,(H,7,8)(H,9,10);2*1H3/b3-1-;;.
What are the key properties of azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid?
azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid has a molecular weight of 180.16 g/mol, XLogP of -0.60, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid is sourced from PubChem (CID 173371480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).