1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol

C6H12N2O3 — CID 88639905

IUPAC1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol
SMILESC=CC(N)(O)OC(N)(O)C=C
InChIInChI=1S/C6H12N2O3/c1-3-5(7,9)11-6(8,10)4-2/h3-4,9-10H,1-2,7-8H2
InChIKeyLGWGUTOIURVVGT-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.42
Rot. Bonds4

About 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol

1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol (PubChem CID 88639905) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol
PubChem CID88639905
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol
SMILESC=CC(N)(O)OC(N)(O)C=C
InChIInChI=1S/C6H12N2O3/c1-3-5(7,9)11-6(8,10)4-2/h3-4,9-10H,1-2,7-8H2
InChIKeyLGWGUTOIURVVGT-UHFFFAOYSA-N
XLogP-1.42
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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CID 173457267
1,1-bis(sulfanyl)prop-2-en-1-ol
CID 123602556
4-aminohepta-1,6-dien-4-ol
CID 87970022
2-amino-2-ethenylpropanedioic acid
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1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene
CID 87429937
2-(1-cyano-1-fluoroprop-2-enoxy)-2-fluorobut-3-enenitrile
CID 87334450
1-(2-aminobut-3-en-2-yloxy)-3-methylpentan-3-ol
CID 89112922
[2-(acetyloxymethyl)-2-hydroxybut-3-enyl] acetate
CID 59238442
3-(trifluoromethyl)penta-1,4-dien-3-ol
CID 169094405

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol?
The IUPAC name of 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol (CID 88639905) is 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol.
What is the SMILES notation for 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol?
The canonical SMILES for 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol is C=CC(N)(O)OC(N)(O)C=C.
What is the InChIKey of 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol?
The InChIKey is LGWGUTOIURVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-5(7,9)11-6(8,10)4-2/h3-4,9-10H,1-2,7-8H2.
What are the key properties of 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol?
1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol has a molecular weight of 160.17 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-amino-1-hydroxyprop-2-enoxy)prop-2-en-1-ol is sourced from PubChem (CID 88639905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).