5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol

C9H19NO4 — CID 91473641

IUPAC5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol
SMILESCC1(O)CC(O)C(N)C(CCCO)O1
InChIInChI=1S/C9H19NO4/c1-9(13)5-6(12)8(10)7(14-9)3-2-4-11/h6-8,11-13H,2-5,10H2,1H3
InChIKeyNEXBLFSEZNXQRW-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.06
Rot. Bonds3

About 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol

5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol (PubChem CID 91473641) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol.

Molecular Properties

Compound Name5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol
PubChem CID91473641
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol
SMILESCC1(O)CC(O)C(N)C(CCCO)O1
InChIInChI=1S/C9H19NO4/c1-9(13)5-6(12)8(10)7(14-9)3-2-4-11/h6-8,11-13H,2-5,10H2,1H3
InChIKeyNEXBLFSEZNXQRW-UHFFFAOYSA-N
XLogP-1.06
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol?
The IUPAC name of 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol (CID 91473641) is 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol.
What is the SMILES notation for 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol?
The canonical SMILES for 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol is CC1(O)CC(O)C(N)C(CCCO)O1.
What is the InChIKey of 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol?
The InChIKey is NEXBLFSEZNXQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(13)5-6(12)8(10)7(14-9)3-2-4-11/h6-8,11-13H,2-5,10H2,1H3.
What are the key properties of 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol?
5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol has a molecular weight of 205.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-hydroxypropyl)-2-methyloxane-2,4-diol is sourced from PubChem (CID 91473641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).