[3-amino-1-(hydroxymethyl)cyclobutyl]methanol

C6H13NO2 — CID 55285809

IUPAC[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
SMILESNC1CC(CO)(CO)C1
InChIInChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2
InChIKeyZGAVNCNNYZDUIW-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.92
Rot. Bonds2

About [3-amino-1-(hydroxymethyl)cyclobutyl]methanol

[3-amino-1-(hydroxymethyl)cyclobutyl]methanol (PubChem CID 55285809) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is [3-amino-1-(hydroxymethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
PubChem CID55285809
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
SMILESNC1CC(CO)(CO)C1
InChIInChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2
InChIKeyZGAVNCNNYZDUIW-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(hydroxymethyl)cyclobutyl]methanol?
The IUPAC name of [3-amino-1-(hydroxymethyl)cyclobutyl]methanol (CID 55285809) is [3-amino-1-(hydroxymethyl)cyclobutyl]methanol.
What is the SMILES notation for [3-amino-1-(hydroxymethyl)cyclobutyl]methanol?
The canonical SMILES for [3-amino-1-(hydroxymethyl)cyclobutyl]methanol is NC1CC(CO)(CO)C1.
What is the InChIKey of [3-amino-1-(hydroxymethyl)cyclobutyl]methanol?
The InChIKey is ZGAVNCNNYZDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2.
What are the key properties of [3-amino-1-(hydroxymethyl)cyclobutyl]methanol?
[3-amino-1-(hydroxymethyl)cyclobutyl]methanol has a molecular weight of 131.17 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(hydroxymethyl)cyclobutyl]methanol is sourced from PubChem (CID 55285809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).