3-[(2-hydroxyethylamino)methyl]oxolan-3-ol

C7H15NO3 — CID 106100620

IUPAC3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
SMILESOCCNCC1(O)CCOC1
InChIInChI=1S/C7H15NO3/c9-3-2-8-5-7(10)1-4-11-6-7/h8-10H,1-6H2
InChIKeyLDZBBUCTTJSPRS-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.28
Rot. Bonds4

About 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol

3-[(2-hydroxyethylamino)methyl]oxolan-3-ol (PubChem CID 106100620) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
PubChem CID106100620
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
SMILESOCCNCC1(O)CCOC1
InChIInChI=1S/C7H15NO3/c9-3-2-8-5-7(10)1-4-11-6-7/h8-10H,1-6H2
InChIKeyLDZBBUCTTJSPRS-UHFFFAOYSA-N
XLogP-1.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 106100783
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
3-[[2-(oxolan-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106100567
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
CID 106100787
2-hydroxyethyl N-[(3-hydroxyoxolan-3-yl)methyl]carbamate
CID 106103199
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
5-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]pentanamide
CID 106103197

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol (CID 106100620) is 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol is OCCNCC1(O)CCOC1.
What is the InChIKey of 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol?
The InChIKey is LDZBBUCTTJSPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-3-2-8-5-7(10)1-4-11-6-7/h8-10H,1-6H2.
What are the key properties of 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol?
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).