sodium 4-(hydroxymethylamino)butanoate

C5H10NNaO3 — CID 141391824

IUPACsodium 4-(hydroxymethylamino)butanoate
SMILESO=C([O-])CCCNCO.[Na+]
InChIInChI=1S/C5H11NO3.Na/c7-4-6-3-1-2-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKeyLVBFWSFRHRALLD-UHFFFAOYSA-M
MW155.13 g/mol
LogP-4.94
Rot. Bonds5

About sodium 4-(hydroxymethylamino)butanoate

sodium 4-(hydroxymethylamino)butanoate (PubChem CID 141391824) has the molecular formula C5H10NNaO3 and a molecular weight of 155.13 g/mol. Its IUPAC name is sodium 4-(hydroxymethylamino)butanoate.

Molecular Properties

Compound Namesodium 4-(hydroxymethylamino)butanoate
PubChem CID141391824
Molecular FormulaC5H10NNaO3
Molecular Weight155.13 g/mol
Exact Mass155.06
IUPAC Namesodium 4-(hydroxymethylamino)butanoate
SMILESO=C([O-])CCCNCO.[Na+]
InChIInChI=1S/C5H11NO3.Na/c7-4-6-3-1-2-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKeyLVBFWSFRHRALLD-UHFFFAOYSA-M
XLogP-4.94
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-4.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
disodium;pentanedioate;hydrochloride
CID 175525255
disodium;undecanedioate
CID 15107599
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
strontium hexanedioate
CID 134687758
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
magnesium hexanedioate
CID 24074
tridecanedioate
CID 6994474
bis(antimony(3+));tris(pentanedioate)
CID 19376891

Frequently Asked Questions

What is the IUPAC name of sodium 4-(hydroxymethylamino)butanoate?
The IUPAC name of sodium 4-(hydroxymethylamino)butanoate (CID 141391824) is sodium 4-(hydroxymethylamino)butanoate.
What is the SMILES notation for sodium 4-(hydroxymethylamino)butanoate?
The canonical SMILES for sodium 4-(hydroxymethylamino)butanoate is O=C([O-])CCCNCO.[Na+].
What is the InChIKey of sodium 4-(hydroxymethylamino)butanoate?
The InChIKey is LVBFWSFRHRALLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3.Na/c7-4-6-3-1-2-5(8)9;/h6-7H,1-4H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 4-(hydroxymethylamino)butanoate?
sodium 4-(hydroxymethylamino)butanoate has a molecular weight of 155.13 g/mol, XLogP of -4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(hydroxymethylamino)butanoate is sourced from PubChem (CID 141391824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).