2-amino-3-ethenoxypropan-1-ol

C5H11NO2 — CID 175161838

IUPAC2-amino-3-ethenoxypropan-1-ol
SMILESC=COCC(N)CO
InChIInChI=1S/C5H11NO2/c1-2-8-4-5(6)3-7/h2,5,7H,1,3-4,6H2
InChIKeyRODGRDOZNUSTQS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.53
Rot. Bonds4

About 2-amino-3-ethenoxypropan-1-ol

2-amino-3-ethenoxypropan-1-ol (PubChem CID 175161838) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-amino-3-ethenoxypropan-1-ol.

Molecular Properties

Compound Name2-amino-3-ethenoxypropan-1-ol
PubChem CID175161838
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-amino-3-ethenoxypropan-1-ol
SMILESC=COCC(N)CO
InChIInChI=1S/C5H11NO2/c1-2-8-4-5(6)3-7/h2,5,7H,1,3-4,6H2
InChIKeyRODGRDOZNUSTQS-UHFFFAOYSA-N
XLogP-0.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethenoxypropan-1-ol?
The IUPAC name of 2-amino-3-ethenoxypropan-1-ol (CID 175161838) is 2-amino-3-ethenoxypropan-1-ol.
What is the SMILES notation for 2-amino-3-ethenoxypropan-1-ol?
The canonical SMILES for 2-amino-3-ethenoxypropan-1-ol is C=COCC(N)CO.
What is the InChIKey of 2-amino-3-ethenoxypropan-1-ol?
The InChIKey is RODGRDOZNUSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-8-4-5(6)3-7/h2,5,7H,1,3-4,6H2.
What are the key properties of 2-amino-3-ethenoxypropan-1-ol?
2-amino-3-ethenoxypropan-1-ol has a molecular weight of 117.15 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethenoxypropan-1-ol is sourced from PubChem (CID 175161838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).