trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate

C10H21N2Na3O7 — CID 173409157

IUPACtrisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCC(CN)NO.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.3Na/c1-2-4(3-5)6-7;3*1-2(3)4;;;/h4,6-7H,2-3,5H2,1H3;3*1H3,(H,3,4);;;/q;;;;3*+1/p-3
InChIKeyCVZKJUJBOVQDDR-UHFFFAOYSA-K
MW350.26 g/mol
LogP-13.02
Rot. Bonds3

About trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate

trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate (PubChem CID 173409157) has the molecular formula C10H21N2Na3O7 and a molecular weight of 350.26 g/mol. Its IUPAC name is trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate.

Molecular Properties

Compound Nametrisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate
PubChem CID173409157
Molecular FormulaC10H21N2Na3O7
Molecular Weight350.26 g/mol
Exact Mass350.10
IUPAC Nametrisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCC(CN)NO.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.3Na/c1-2-4(3-5)6-7;3*1-2(3)4;;;/h4,6-7H,2-3,5H2,1H3;3*1H3,(H,3,4);;;/q;;;;3*+1/p-3
InChIKeyCVZKJUJBOVQDDR-UHFFFAOYSA-K
XLogP-13.02
TPSA178.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 5-13.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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trisodium;2-aminoacetate;diacetate
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calcium;sodium;acetic acid;ethane-1,2-diamine;triacetate
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Frequently Asked Questions

What is the IUPAC name of trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate?
The IUPAC name of trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate (CID 173409157) is trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate.
What is the SMILES notation for trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate?
The canonical SMILES for trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCC(CN)NO.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate?
The InChIKey is CVZKJUJBOVQDDR-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H12N2O.3C2H4O2.3Na/c1-2-4(3-5)6-7;3*1-2(3)4;;;/h4,6-7H,2-3,5H2,1H3;3*1H3,(H,3,4);;;/q;;;;3*+1/p-3.
What are the key properties of trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate?
trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate has a molecular weight of 350.26 g/mol, XLogP of -13.02, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate is sourced from PubChem (CID 173409157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).