2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol

C10H21NO4 — CID 106100783

IUPAC2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CNCC1(O)CCOC1
InChIInChI=1S/C10H21NO4/c1-9(6-12,7-13)4-11-5-10(14)2-3-15-8-10/h11-14H,2-8H2,1H3
InChIKeyNASPIQJPBRYKBK-UHFFFAOYSA-N
MW219.28 g/mol
LogP-1.28
Rot. Bonds6

About 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 106100783) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID106100783
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)CNCC1(O)CCOC1
InChIInChI=1S/C10H21NO4/c1-9(6-12,7-13)4-11-5-10(14)2-3-15-8-10/h11-14H,2-8H2,1H3
InChIKeyNASPIQJPBRYKBK-UHFFFAOYSA-N
XLogP-1.28
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]oxolan-3-ol
CID 106099957
4-[[[2-(hydroxymethyl)-2-methylbutyl]amino]methyl]oxan-4-ol
CID 81419874
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]oxolan-3-ol
CID 106100787
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
3-[(2-cyclohexylethylamino)methyl]oxolan-3-ol
CID 103529150
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
3-[(2-propan-2-ylsulfonylethylamino)methyl]oxolan-3-ol
CID 106100386
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol (CID 106100783) is 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol is CC(CO)(CO)CNCC1(O)CCOC1.
What is the InChIKey of 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is NASPIQJPBRYKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(6-12,7-13)4-11-5-10(14)2-3-15-8-10/h11-14H,2-8H2,1H3.
What are the key properties of 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 219.28 g/mol, XLogP of -1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 106100783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).