sodium 3-hydroxycyclobutane-1-carboxylate

C5H7NaO3 — CID 146154009

IUPACsodium 3-hydroxycyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(O)C1.[Na+]
InChIInChI=1S/C5H8O3.Na/c6-4-1-3(2-4)5(7)8;/h3-4,6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyUMUNGLUVGOVODP-UHFFFAOYSA-M
MW138.10 g/mol
LogP-4.49
Rot. Bonds1

About sodium 3-hydroxycyclobutane-1-carboxylate

sodium 3-hydroxycyclobutane-1-carboxylate (PubChem CID 146154009) has the molecular formula C5H7NaO3 and a molecular weight of 138.10 g/mol. Its IUPAC name is sodium 3-hydroxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namesodium 3-hydroxycyclobutane-1-carboxylate
PubChem CID146154009
Molecular FormulaC5H7NaO3
Molecular Weight138.10 g/mol
Exact Mass138.03
IUPAC Namesodium 3-hydroxycyclobutane-1-carboxylate
SMILESO=C([O-])C1CC(O)C1.[Na+]
InChIInChI=1S/C5H8O3.Na/c6-4-1-3(2-4)5(7)8;/h3-4,6H,1-2H2,(H,7,8);/q;+1/p-1
InChIKeyUMUNGLUVGOVODP-UHFFFAOYSA-M
XLogP-4.49
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-4.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxycyclobutane-1-carboxylate?
The IUPAC name of sodium 3-hydroxycyclobutane-1-carboxylate (CID 146154009) is sodium 3-hydroxycyclobutane-1-carboxylate.
What is the SMILES notation for sodium 3-hydroxycyclobutane-1-carboxylate?
The canonical SMILES for sodium 3-hydroxycyclobutane-1-carboxylate is O=C([O-])C1CC(O)C1.[Na+].
What is the InChIKey of sodium 3-hydroxycyclobutane-1-carboxylate?
The InChIKey is UMUNGLUVGOVODP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O3.Na/c6-4-1-3(2-4)5(7)8;/h3-4,6H,1-2H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 3-hydroxycyclobutane-1-carboxylate?
sodium 3-hydroxycyclobutane-1-carboxylate has a molecular weight of 138.10 g/mol, XLogP of -4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxycyclobutane-1-carboxylate is sourced from PubChem (CID 146154009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).