2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol

C9H19NO3 — CID 82835778

IUPAC2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol
SMILESCC1CCC(CNC(CO)CO)O1
InChIInChI=1S/C9H19NO3/c1-7-2-3-9(13-7)4-10-8(5-11)6-12/h7-12H,2-6H2,1H3
InChIKeyGEHLJNUHIGSISN-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.50
Rot. Bonds5

About 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol

2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol (PubChem CID 82835778) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol
PubChem CID82835778
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol
SMILESCC1CCC(CNC(CO)CO)O1
InChIInChI=1S/C9H19NO3/c1-7-2-3-9(13-7)4-10-8(5-11)6-12/h7-12H,2-6H2,1H3
InChIKeyGEHLJNUHIGSISN-UHFFFAOYSA-N
XLogP-0.50
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol (CID 82835778) is 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol is CC1CCC(CNC(CO)CO)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol?
The InChIKey is GEHLJNUHIGSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7-2-3-9(13-7)4-10-8(5-11)6-12/h7-12H,2-6H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol?
2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol has a molecular weight of 189.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 82835778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).