sodium;3,4-diaminobutanoic acid;hydride

C4H11N2NaO2 — CID 173483530

IUPACsodium;3,4-diaminobutanoic acid;hydride
SMILESNCC(N)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H10N2O2.Na.H/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);;/q;+1;-1
InChIKeySHUGEBNDDOPHPC-UHFFFAOYSA-N
MW142.13 g/mol
LogP-4.14
Rot. Bonds3

About sodium;3,4-diaminobutanoic acid;hydride

sodium;3,4-diaminobutanoic acid;hydride (PubChem CID 173483530) has the molecular formula C4H11N2NaO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is sodium;3,4-diaminobutanoic acid;hydride.

Molecular Properties

Compound Namesodium;3,4-diaminobutanoic acid;hydride
PubChem CID173483530
Molecular FormulaC4H11N2NaO2
Molecular Weight142.13 g/mol
Exact Mass142.07
IUPAC Namesodium;3,4-diaminobutanoic acid;hydride
SMILESNCC(N)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H10N2O2.Na.H/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);;/q;+1;-1
InChIKeySHUGEBNDDOPHPC-UHFFFAOYSA-N
XLogP-4.14
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-4.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;3,4-diaminobutanoic acid;hydride?
The IUPAC name of sodium;3,4-diaminobutanoic acid;hydride (CID 173483530) is sodium;3,4-diaminobutanoic acid;hydride.
What is the SMILES notation for sodium;3,4-diaminobutanoic acid;hydride?
The canonical SMILES for sodium;3,4-diaminobutanoic acid;hydride is NCC(N)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3,4-diaminobutanoic acid;hydride?
The InChIKey is SHUGEBNDDOPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.Na.H/c5-2-3(6)1-4(7)8;;/h3H,1-2,5-6H2,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;3,4-diaminobutanoic acid;hydride?
sodium;3,4-diaminobutanoic acid;hydride has a molecular weight of 142.13 g/mol, XLogP of -4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-diaminobutanoic acid;hydride is sourced from PubChem (CID 173483530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).