1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol

C8H19NO4 — CID 58703853

IUPAC1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
SMILESCCOCC(O)COCC(O)CN
InChIInChI=1S/C8H19NO4/c1-2-12-5-8(11)6-13-4-7(10)3-9/h7-8,10-11H,2-6,9H2,1H3
InChIKeyNWTDZSWQHSQFAN-UHFFFAOYSA-N
MW193.24 g/mol
LogP-1.28
Rot. Bonds8

About 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol

1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol (PubChem CID 58703853) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
PubChem CID58703853
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
SMILESCCOCC(O)COCC(O)CN
InChIInChI=1S/C8H19NO4/c1-2-12-5-8(11)6-13-4-7(10)3-9/h7-8,10-11H,2-6,9H2,1H3
InChIKeyNWTDZSWQHSQFAN-UHFFFAOYSA-N
XLogP-1.28
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(3-amino-2-hydroxypropoxy)propan-2-ol
CID 15323033
1-amino-3-(3-aminooxy-2-hydroxypropoxy)propan-2-ol
CID 142384042
1-(3-bromo-2-hydroxypropoxy)-3-ethoxypropan-2-ol
CID 148545337
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66225458
1-ethoxypentan-2-ol
CID 21201051
1-amino-3-heptoxypropan-2-ol
CID 43128013
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol (CID 58703853) is 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol is CCOCC(O)COCC(O)CN.
What is the InChIKey of 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol?
The InChIKey is NWTDZSWQHSQFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-2-12-5-8(11)6-13-4-7(10)3-9/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol?
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol has a molecular weight of 193.24 g/mol, XLogP of -1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 58703853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).