(Z)-2-aminobut-2-ene-1,4-diol

C4H9NO2 — CID 58594730

IUPAC(Z)-2-aminobut-2-ene-1,4-diol
SMILESN/C(=C\CO)CO
InChIInChI=1S/C4H9NO2/c5-4(3-7)1-2-6/h1,6-7H,2-3,5H2/b4-1-
InChIKeyRUDWIXVUEDGRBB-RJRFIUFISA-N
MW103.12 g/mol
LogP-1.19
Rot. Bonds2

About (Z)-2-aminobut-2-ene-1,4-diol

(Z)-2-aminobut-2-ene-1,4-diol (PubChem CID 58594730) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (Z)-2-aminobut-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-2-aminobut-2-ene-1,4-diol
PubChem CID58594730
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(Z)-2-aminobut-2-ene-1,4-diol
SMILESN/C(=C\CO)CO
InChIInChI=1S/C4H9NO2/c5-4(3-7)1-2-6/h1,6-7H,2-3,5H2/b4-1-
InChIKeyRUDWIXVUEDGRBB-RJRFIUFISA-N
XLogP-1.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminobut-2-ene-1,4-diol?
The IUPAC name of (Z)-2-aminobut-2-ene-1,4-diol (CID 58594730) is (Z)-2-aminobut-2-ene-1,4-diol.
What is the SMILES notation for (Z)-2-aminobut-2-ene-1,4-diol?
The canonical SMILES for (Z)-2-aminobut-2-ene-1,4-diol is N/C(=C\CO)CO.
What is the InChIKey of (Z)-2-aminobut-2-ene-1,4-diol?
The InChIKey is RUDWIXVUEDGRBB-RJRFIUFISA-N. The full InChI is InChI=1S/C4H9NO2/c5-4(3-7)1-2-6/h1,6-7H,2-3,5H2/b4-1-.
What are the key properties of (Z)-2-aminobut-2-ene-1,4-diol?
(Z)-2-aminobut-2-ene-1,4-diol has a molecular weight of 103.12 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminobut-2-ene-1,4-diol is sourced from PubChem (CID 58594730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).