2-aminobut-3-ene-1,2-diol

C4H9NO2 — CID 173361461

IUPAC2-aminobut-3-ene-1,2-diol
SMILESC=CC(N)(O)CO
InChIInChI=1S/C4H9NO2/c1-2-4(5,7)3-6/h2,6-7H,1,3,5H2
InChIKeyZBLPQTFIFCSBFV-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.19
Rot. Bonds2

About 2-aminobut-3-ene-1,2-diol

2-aminobut-3-ene-1,2-diol (PubChem CID 173361461) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-aminobut-3-ene-1,2-diol.

Molecular Properties

Compound Name2-aminobut-3-ene-1,2-diol
PubChem CID173361461
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-aminobut-3-ene-1,2-diol
SMILESC=CC(N)(O)CO
InChIInChI=1S/C4H9NO2/c1-2-4(5,7)3-6/h2,6-7H,1,3,5H2
InChIKeyZBLPQTFIFCSBFV-UHFFFAOYSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylpropane-1,2,3-triol
CID 130123389
2-ethenyl-2-(hydroxymethyl)propane-1,3-diol
CID 21187086
1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 88639905
4-aminohepta-1,6-dien-4-ol
CID 87970022
2-amino-2-methylpent-4-en-1-ol
CID 55291318
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
2-aminobut-3-ene-1,1,2-triol
CID 91365867
3-ethenylpent-4-ene-1,3-diol
CID 57295100
1-aminopropane-1,1,3-triol
CID 54460463
1,1-disilylprop-2-en-1-amine
CID 173457267
2,2,3,3-tetrafluoropent-4-en-1-ol
CID 130122672
[2-amino-2-(hydroxymethyl)but-3-enyl] dihydrogen phosphate
CID 121321605

Frequently Asked Questions

What is the IUPAC name of 2-aminobut-3-ene-1,2-diol?
The IUPAC name of 2-aminobut-3-ene-1,2-diol (CID 173361461) is 2-aminobut-3-ene-1,2-diol.
What is the SMILES notation for 2-aminobut-3-ene-1,2-diol?
The canonical SMILES for 2-aminobut-3-ene-1,2-diol is C=CC(N)(O)CO.
What is the InChIKey of 2-aminobut-3-ene-1,2-diol?
The InChIKey is ZBLPQTFIFCSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-4(5,7)3-6/h2,6-7H,1,3,5H2.
What are the key properties of 2-aminobut-3-ene-1,2-diol?
2-aminobut-3-ene-1,2-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 2-aminobut-3-ene-1,2-diol is sourced from PubChem (CID 173361461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).