1-[2-(hydroxymethylamino)ethoxy]ethanol

C5H13NO3 — CID 87282458

IUPAC1-[2-(hydroxymethylamino)ethoxy]ethanol
SMILESCC(O)OCCNCO
InChIInChI=1S/C5H13NO3/c1-5(8)9-3-2-6-4-7/h5-8H,2-4H2,1H3
InChIKeyFGCMJRDBDNRFAF-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.12
Rot. Bonds5

About 1-[2-(hydroxymethylamino)ethoxy]ethanol

1-[2-(hydroxymethylamino)ethoxy]ethanol (PubChem CID 87282458) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-[2-(hydroxymethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2-(hydroxymethylamino)ethoxy]ethanol
PubChem CID87282458
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-[2-(hydroxymethylamino)ethoxy]ethanol
SMILESCC(O)OCCNCO
InChIInChI=1S/C5H13NO3/c1-5(8)9-3-2-6-4-7/h5-8H,2-4H2,1H3
InChIKeyFGCMJRDBDNRFAF-UHFFFAOYSA-N
XLogP-1.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethylamino)ethoxy]ethanol?
The IUPAC name of 1-[2-(hydroxymethylamino)ethoxy]ethanol (CID 87282458) is 1-[2-(hydroxymethylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[2-(hydroxymethylamino)ethoxy]ethanol?
The canonical SMILES for 1-[2-(hydroxymethylamino)ethoxy]ethanol is CC(O)OCCNCO.
What is the InChIKey of 1-[2-(hydroxymethylamino)ethoxy]ethanol?
The InChIKey is FGCMJRDBDNRFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-5(8)9-3-2-6-4-7/h5-8H,2-4H2,1H3.
What are the key properties of 1-[2-(hydroxymethylamino)ethoxy]ethanol?
1-[2-(hydroxymethylamino)ethoxy]ethanol has a molecular weight of 135.16 g/mol, XLogP of -1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethylamino)ethoxy]ethanol is sourced from PubChem (CID 87282458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).