3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol

C7H15NO3 — CID 77109946

IUPAC3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
SMILESOCC(O)CNC1CC(O)C1
InChIInChI=1S/C7H15NO3/c9-4-7(11)3-8-5-1-6(10)2-5/h5-11H,1-4H2
InChIKeyFAWGNEVGMKRDGN-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.55
Rot. Bonds4

About 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol

3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol (PubChem CID 77109946) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
PubChem CID77109946
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
SMILESOCC(O)CNC1CC(O)C1
InChIInChI=1S/C7H15NO3/c9-4-7(11)3-8-5-1-6(10)2-5/h5-11H,1-4H2
InChIKeyFAWGNEVGMKRDGN-UHFFFAOYSA-N
XLogP-1.55
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol (CID 77109946) is 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol is OCC(O)CNC1CC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol?
The InChIKey is FAWGNEVGMKRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-4-7(11)3-8-5-1-6(10)2-5/h5-11H,1-4H2.
What are the key properties of 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol?
3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol has a molecular weight of 161.20 g/mol, XLogP of -1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol is sourced from PubChem (CID 77109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).