1-(2-hydroxyethylamino)propane-1,2,3-triol

C5H13NO4 — CID 156780277

IUPAC1-(2-hydroxyethylamino)propane-1,2,3-triol
SMILESOCCNC(O)C(O)CO
InChIInChI=1S/C5H13NO4/c7-2-1-6-5(10)4(9)3-8/h4-10H,1-3H2
InChIKeyBTMHPJULXOBMEA-UHFFFAOYSA-N
MW151.16 g/mol
LogP-2.76
Rot. Bonds5

About 1-(2-hydroxyethylamino)propane-1,2,3-triol

1-(2-hydroxyethylamino)propane-1,2,3-triol (PubChem CID 156780277) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)propane-1,2,3-triol
PubChem CID156780277
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-(2-hydroxyethylamino)propane-1,2,3-triol
SMILESOCCNC(O)C(O)CO
InChIInChI=1S/C5H13NO4/c7-2-1-6-5(10)4(9)3-8/h4-10H,1-3H2
InChIKeyBTMHPJULXOBMEA-UHFFFAOYSA-N
XLogP-2.76
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-2.76
H-Bond Donors ≤ 55
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

1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
CID 59800336
1-(ethylamino)propane-1,2,3-triol
CID 163812588
1,1,3,3-tetrakis(2-hydroxyethylamino)propan-2-ol
CID 90097181
2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide
CID 141080027
(2R,3S)-3-[2-[[(2S,3R)-1,3,4-trihydroxybutan-2-yl]amino]ethylamino]butane-1,2,4-triol
CID 102066006
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
2-(2-hydroxyethylamino)pentane-1,5-diol
CID 87894926
ethane-1,2-diol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol
CID 161114526
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
butane;butane-1,2,3,4-tetrol
CID 155273073
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
CID 138511068

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)propane-1,2,3-triol?
The IUPAC name of 1-(2-hydroxyethylamino)propane-1,2,3-triol (CID 156780277) is 1-(2-hydroxyethylamino)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-hydroxyethylamino)propane-1,2,3-triol?
The canonical SMILES for 1-(2-hydroxyethylamino)propane-1,2,3-triol is OCCNC(O)C(O)CO.
What is the InChIKey of 1-(2-hydroxyethylamino)propane-1,2,3-triol?
The InChIKey is BTMHPJULXOBMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4/c7-2-1-6-5(10)4(9)3-8/h4-10H,1-3H2.
What are the key properties of 1-(2-hydroxyethylamino)propane-1,2,3-triol?
1-(2-hydroxyethylamino)propane-1,2,3-triol has a molecular weight of 151.16 g/mol, XLogP of -2.76, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)propane-1,2,3-triol is sourced from PubChem (CID 156780277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).