(Z)-2-(methylamino)but-2-ene-1,1-diol

C5H11NO2 — CID 122463177

IUPAC(Z)-2-(methylamino)but-2-ene-1,1-diol
SMILESC/C=C(\NC)C(O)O
InChIInChI=1S/C5H11NO2/c1-3-4(6-2)5(7)8/h3,5-8H,1-2H3/b4-3-
InChIKeyMVRDNYMZEFDTMB-ARJAWSKDSA-N
MW117.15 g/mol
LogP-0.58
Rot. Bonds2

About (Z)-2-(methylamino)but-2-ene-1,1-diol

(Z)-2-(methylamino)but-2-ene-1,1-diol (PubChem CID 122463177) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (Z)-2-(methylamino)but-2-ene-1,1-diol.

Molecular Properties

Compound Name(Z)-2-(methylamino)but-2-ene-1,1-diol
PubChem CID122463177
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(Z)-2-(methylamino)but-2-ene-1,1-diol
SMILESC/C=C(\NC)C(O)O
InChIInChI=1S/C5H11NO2/c1-3-4(6-2)5(7)8/h3,5-8H,1-2H3/b4-3-
InChIKeyMVRDNYMZEFDTMB-ARJAWSKDSA-N
XLogP-0.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylamino)but-2-ene-1,1-diol?
The IUPAC name of (Z)-2-(methylamino)but-2-ene-1,1-diol (CID 122463177) is (Z)-2-(methylamino)but-2-ene-1,1-diol.
What is the SMILES notation for (Z)-2-(methylamino)but-2-ene-1,1-diol?
The canonical SMILES for (Z)-2-(methylamino)but-2-ene-1,1-diol is C/C=C(\NC)C(O)O.
What is the InChIKey of (Z)-2-(methylamino)but-2-ene-1,1-diol?
The InChIKey is MVRDNYMZEFDTMB-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4(6-2)5(7)8/h3,5-8H,1-2H3/b4-3-.
What are the key properties of (Z)-2-(methylamino)but-2-ene-1,1-diol?
(Z)-2-(methylamino)but-2-ene-1,1-diol has a molecular weight of 117.15 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)but-2-ene-1,1-diol is sourced from PubChem (CID 122463177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).