3-(2-amino-2-hydroxyethoxy)propane-1,2-diol

C5H13NO4 — CID 87602858

IUPAC3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
SMILESNC(O)COCC(O)CO
InChIInChI=1S/C5H13NO4/c6-5(9)3-10-2-4(8)1-7/h4-5,7-9H,1-3,6H2
InChIKeyCDEKZWZPFZLQJF-UHFFFAOYSA-N
MW151.16 g/mol
LogP-2.37
Rot. Bonds5

About 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol

3-(2-amino-2-hydroxyethoxy)propane-1,2-diol (PubChem CID 87602858) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
PubChem CID87602858
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
SMILESNC(O)COCC(O)CO
InChIInChI=1S/C5H13NO4/c6-5(9)3-10-2-4(8)1-7/h4-5,7-9H,1-3,6H2
InChIKeyCDEKZWZPFZLQJF-UHFFFAOYSA-N
XLogP-2.37
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl]-trimethylazanium
CID 89337640
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol?
The IUPAC name of 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol (CID 87602858) is 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol is NC(O)COCC(O)CO.
What is the InChIKey of 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol?
The InChIKey is CDEKZWZPFZLQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4/c6-5(9)3-10-2-4(8)1-7/h4-5,7-9H,1-3,6H2.
What are the key properties of 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol?
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol has a molecular weight of 151.16 g/mol, XLogP of -2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-hydroxyethoxy)propane-1,2-diol is sourced from PubChem (CID 87602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).