[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid

C6H11NO4 — CID 118114270

IUPAC[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(O)(CO)C1
InChIInChI=1S/C6H11NO4/c8-3-6(11)1-4(2-6)7-5(9)10/h4,7-8,11H,1-3H2,(H,9,10)
InChIKeySJZLDCUODDOCSV-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.86
Rot. Bonds2

About [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid

[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid (PubChem CID 118114270) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid
PubChem CID118114270
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(O)(CO)C1
InChIInChI=1S/C6H11NO4/c8-3-6(11)1-4(2-6)7-5(9)10/h4,7-8,11H,1-3H2,(H,9,10)
InChIKeySJZLDCUODDOCSV-UHFFFAOYSA-N
XLogP-0.86
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid?
The IUPAC name of [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid (CID 118114270) is [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid.
What is the SMILES notation for [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid?
The canonical SMILES for [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid is O=C(O)NC1CC(O)(CO)C1.
What is the InChIKey of [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid?
The InChIKey is SJZLDCUODDOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-3-6(11)1-4(2-6)7-5(9)10/h4,7-8,11H,1-3H2,(H,9,10).
What are the key properties of [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid?
[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid has a molecular weight of 161.16 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamic acid is sourced from PubChem (CID 118114270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).