sodium;butanoic acid;methanolate

C5H11NaO3 — CID 157280251

IUPACsodium;butanoic acid;methanolate
SMILESCCCC(=O)O.C[O-].[Na+]
InChIInChI=1S/C4H8O2.CH3O.Na/c1-2-3-4(5)6;1-2;/h2-3H2,1H3,(H,5,6);1H3;/q;-1;+1
InChIKeyAZORFXUZJPSWQI-UHFFFAOYSA-N
MW142.13 g/mol
LogP-3.15
Rot. Bonds2

About sodium;butanoic acid;methanolate

sodium;butanoic acid;methanolate (PubChem CID 157280251) has the molecular formula C5H11NaO3 and a molecular weight of 142.13 g/mol. Its IUPAC name is sodium;butanoic acid;methanolate.

Molecular Properties

Compound Namesodium;butanoic acid;methanolate
PubChem CID157280251
Molecular FormulaC5H11NaO3
Molecular Weight142.13 g/mol
Exact Mass142.06
IUPAC Namesodium;butanoic acid;methanolate
SMILESCCCC(=O)O.C[O-].[Na+]
InChIInChI=1S/C4H8O2.CH3O.Na/c1-2-3-4(5)6;1-2;/h2-3H2,1H3,(H,5,6);1H3;/q;-1;+1
InChIKeyAZORFXUZJPSWQI-UHFFFAOYSA-N
XLogP-3.15
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;butanoic acid;hydride;hydrochloride
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butanoic acid;copper
CID 57425269
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CID 87408506
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;mercury
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CID 88693438
CID 88693438
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of sodium;butanoic acid;methanolate?
The IUPAC name of sodium;butanoic acid;methanolate (CID 157280251) is sodium;butanoic acid;methanolate.
What is the SMILES notation for sodium;butanoic acid;methanolate?
The canonical SMILES for sodium;butanoic acid;methanolate is CCCC(=O)O.C[O-].[Na+].
What is the InChIKey of sodium;butanoic acid;methanolate?
The InChIKey is AZORFXUZJPSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH3O.Na/c1-2-3-4(5)6;1-2;/h2-3H2,1H3,(H,5,6);1H3;/q;-1;+1.
What are the key properties of sodium;butanoic acid;methanolate?
sodium;butanoic acid;methanolate has a molecular weight of 142.13 g/mol, XLogP of -3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanoic acid;methanolate is sourced from PubChem (CID 157280251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).