(1R)-2-amino-1-(2-hydroxyethoxy)ethanol

C4H11NO3 — CID 134693752

IUPAC(1R)-2-amino-1-(2-hydroxyethoxy)ethanol
SMILESNC[C@H](O)OCCO
InChIInChI=1S/C4H11NO3/c5-3-4(7)8-2-1-6/h4,6-7H,1-3,5H2/t4-/m1/s1
InChIKeyMNIQYMFUUWIMBC-SCSAIBSYSA-N
MW121.14 g/mol
LogP-1.73
Rot. Bonds4

About (1R)-2-amino-1-(2-hydroxyethoxy)ethanol

(1R)-2-amino-1-(2-hydroxyethoxy)ethanol (PubChem CID 134693752) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (1R)-2-amino-1-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2-hydroxyethoxy)ethanol
PubChem CID134693752
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name(1R)-2-amino-1-(2-hydroxyethoxy)ethanol
SMILESNC[C@H](O)OCCO
InChIInChI=1S/C4H11NO3/c5-3-4(7)8-2-1-6/h4,6-7H,1-3,5H2/t4-/m1/s1
InChIKeyMNIQYMFUUWIMBC-SCSAIBSYSA-N
XLogP-1.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diglycolamine
CID 13578
Ethanol, 2-[2-(2-aminoethoxy)ethoxy]-
CID 95875
Aminoethoxyethoxyethanol
CID 17784023
Ethoxyethanolamin
CID 21114145
Aminoethoxyethanol
CID 21989213
2-(2-Hydroxyethoxy)ethylazanium
CID 6995582
2-Amino-1-(2-hydroxyethoxy)ethanol;ethoxyethane
CID 20186286
2-Amino-1-(2-hydroxyethoxy)ethanol
CID 20186287
2-(1-Aminoethoxy)ethane-1,1,2-triol
CID 20199944
1-(1-Aminoethoxy)ethane-1,2-diol
CID 20380711
2-(2-Aminoethoxy)-1-ethoxyethanol
CID 21961120
2-Amino-1-(2-aminoethoxy)ethanol
CID 22372816

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2-hydroxyethoxy)ethanol?
The IUPAC name of (1R)-2-amino-1-(2-hydroxyethoxy)ethanol (CID 134693752) is (1R)-2-amino-1-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2-hydroxyethoxy)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2-hydroxyethoxy)ethanol is NC[C@H](O)OCCO.
What is the InChIKey of (1R)-2-amino-1-(2-hydroxyethoxy)ethanol?
The InChIKey is MNIQYMFUUWIMBC-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11NO3/c5-3-4(7)8-2-1-6/h4,6-7H,1-3,5H2/t4-/m1/s1.
What are the key properties of (1R)-2-amino-1-(2-hydroxyethoxy)ethanol?
(1R)-2-amino-1-(2-hydroxyethoxy)ethanol has a molecular weight of 121.14 g/mol, XLogP of -1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 134693752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).