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

C5H13NO3 — CID 163812588

IUPAC1-(ethylamino)propane-1,2,3-triol
SMILESCCNC(O)C(O)CO
InChIInChI=1S/C5H13NO3/c1-2-6-5(9)4(8)3-7/h4-9H,2-3H2,1H3
InChIKeyNOORPQVPOBXSAC-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.73
Rot. Bonds4

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

1-(ethylamino)propane-1,2,3-triol (PubChem CID 163812588) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-(ethylamino)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(ethylamino)propane-1,2,3-triol
PubChem CID163812588
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-(ethylamino)propane-1,2,3-triol
SMILESCCNC(O)C(O)CO
InChIInChI=1S/C5H13NO3/c1-2-6-5(9)4(8)3-7/h4-9H,2-3H2,1H3
InChIKeyNOORPQVPOBXSAC-UHFFFAOYSA-N
XLogP-1.73
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
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

1-(2-hydroxyethylamino)propane-1,2,3-triol
CID 156780277
(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
butane;butane-1,2,3,4-tetrol
CID 155273073
pentane-1,2,3-triol
CID 547785
(2S,3S)-pentane-1,2,3-triol
CID 11636797
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
4-(ethylamino)hexan-3-ol
CID 130632244
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
3-methylbutane-1,2-diol;propane
CID 87383548
2,4-bis(ethylamino)octane-1,5-diol
CID 174656543
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)propane-1,2,3-triol?
The IUPAC name of 1-(ethylamino)propane-1,2,3-triol (CID 163812588) is 1-(ethylamino)propane-1,2,3-triol.
What is the SMILES notation for 1-(ethylamino)propane-1,2,3-triol?
The canonical SMILES for 1-(ethylamino)propane-1,2,3-triol is CCNC(O)C(O)CO.
What is the InChIKey of 1-(ethylamino)propane-1,2,3-triol?
The InChIKey is NOORPQVPOBXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c1-2-6-5(9)4(8)3-7/h4-9H,2-3H2,1H3.
What are the key properties of 1-(ethylamino)propane-1,2,3-triol?
1-(ethylamino)propane-1,2,3-triol has a molecular weight of 135.16 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)propane-1,2,3-triol is sourced from PubChem (CID 163812588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).