2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol

C10H17NO5 — CID 107852360

IUPAC2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCC(O)c1ccco1
InChIInChI=1S/C10H17NO5/c12-5-10(6-13,7-14)11-4-8(15)9-2-1-3-16-9/h1-3,8,11-15H,4-7H2
InChIKeyTZSQACBJDLQNLX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.38
Rot. Bonds7

About 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107852360) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107852360
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCC(O)c1ccco1
InChIInChI=1S/C10H17NO5/c12-5-10(6-13,7-14)11-4-8(15)9-2-1-3-16-9/h1-3,8,11-15H,4-7H2
InChIKeyTZSQACBJDLQNLX-UHFFFAOYSA-N
XLogP-1.38
TPSA106.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993461
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea
CID 131207302
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
CID 113406015
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107852360) is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)NCC(O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is TZSQACBJDLQNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-5-10(6-13,7-14)11-4-8(15)9-2-1-3-16-9/h1-3,8,11-15H,4-7H2.
What are the key properties of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 231.25 g/mol, XLogP of -1.38, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107852360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).