2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol

C9H19NO4 — CID 107850741

IUPAC2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
SMILESCC1(CNC(CO)(CO)CO)COC1
InChIInChI=1S/C9H19NO4/c1-8(6-14-7-8)2-10-9(3-11,4-12)5-13/h10-13H,2-7H2,1H3
InChIKeyYKKIITRZRIQWNM-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.67
Rot. Bonds6

About 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol

2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol (PubChem CID 107850741) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
PubChem CID107850741
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
SMILESCC1(CNC(CO)(CO)CO)COC1
InChIInChI=1S/C9H19NO4/c1-8(6-14-7-8)2-10-9(3-11,4-12)5-13/h10-13H,2-7H2,1H3
InChIKeyYKKIITRZRIQWNM-UHFFFAOYSA-N
XLogP-1.67
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol
CID 107865005
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413
(2R)-N-[(3-methyloxetan-3-yl)methyl]azetidine-2-carboxamide;hydrochloride
CID 130637833
N-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
2-chloro-2,2-difluoro-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 131154136
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
1-methyl-2-[(3-methyloxetan-3-yl)methylamino]cyclopentan-1-ol
CID 130532251
3-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004009
4-[[(3-methyloxetan-3-yl)methylamino]methyl]oxan-4-ol
CID 81130877
2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64910750

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol (CID 107850741) is 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol is CC1(CNC(CO)(CO)CO)COC1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
The InChIKey is YKKIITRZRIQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(6-14-7-8)2-10-9(3-11,4-12)5-13/h10-13H,2-7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol has a molecular weight of 205.25 g/mol, XLogP of -1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(3-methyloxetan-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 107850741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).