3-hydroxycyclobutane-1-carboxamide

C5H9NO2 — CID 57485872

IUPAC3-hydroxycyclobutane-1-carboxamide
SMILESNC(=O)C1CC(O)C1
InChIInChI=1S/C5H9NO2/c6-5(8)3-1-4(7)2-3/h3-4,7H,1-2H2,(H2,6,8)
InChIKeyRNDYEEJJKAZJSH-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.76
Rot. Bonds1

About 3-hydroxycyclobutane-1-carboxamide

3-hydroxycyclobutane-1-carboxamide (PubChem CID 57485872) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxycyclobutane-1-carboxamide
PubChem CID57485872
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-hydroxycyclobutane-1-carboxamide
SMILESNC(=O)C1CC(O)C1
InChIInChI=1S/C5H9NO2/c6-5(8)3-1-4(7)2-3/h3-4,7H,1-2H2,(H2,6,8)
InChIKeyRNDYEEJJKAZJSH-UHFFFAOYSA-N
XLogP-0.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxycyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxycyclobutane-1-carboxamide (CID 57485872) is 3-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxycyclobutane-1-carboxamide is NC(=O)C1CC(O)C1.
What is the InChIKey of 3-hydroxycyclobutane-1-carboxamide?
The InChIKey is RNDYEEJJKAZJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-5(8)3-1-4(7)2-3/h3-4,7H,1-2H2,(H2,6,8).
What are the key properties of 3-hydroxycyclobutane-1-carboxamide?
3-hydroxycyclobutane-1-carboxamide has a molecular weight of 115.13 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 57485872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).