sodium;hydride;3-(octylamino)propanoic acid

C11H24NNaO2 — CID 175337848

IUPACsodium;hydride;3-(octylamino)propanoic acid
SMILESCCCCCCCCNCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H23NO2.Na.H/c1-2-3-4-5-6-7-9-12-10-8-11(13)14;;/h12H,2-10H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyQQBFNKDDMSDUPP-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.47
Rot. Bonds10

About sodium;hydride;3-(octylamino)propanoic acid

sodium;hydride;3-(octylamino)propanoic acid (PubChem CID 175337848) has the molecular formula C11H24NNaO2 and a molecular weight of 225.31 g/mol. Its IUPAC name is sodium;hydride;3-(octylamino)propanoic acid.

Molecular Properties

Compound Namesodium;hydride;3-(octylamino)propanoic acid
PubChem CID175337848
Molecular FormulaC11H24NNaO2
Molecular Weight225.31 g/mol
Exact Mass225.17
IUPAC Namesodium;hydride;3-(octylamino)propanoic acid
SMILESCCCCCCCCNCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C11H23NO2.Na.H/c1-2-3-4-5-6-7-9-12-10-8-11(13)14;;/h12H,2-10H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyQQBFNKDDMSDUPP-UHFFFAOYSA-N
XLogP-0.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
azane;3-(dodecylamino)propanoic acid
CID 174643455
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
3-(pentylamino)propanoic acid
CID 28830294
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-(octylamino)propanoic acid?
The IUPAC name of sodium;hydride;3-(octylamino)propanoic acid (CID 175337848) is sodium;hydride;3-(octylamino)propanoic acid.
What is the SMILES notation for sodium;hydride;3-(octylamino)propanoic acid?
The canonical SMILES for sodium;hydride;3-(octylamino)propanoic acid is CCCCCCCCNCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-(octylamino)propanoic acid?
The InChIKey is QQBFNKDDMSDUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.Na.H/c1-2-3-4-5-6-7-9-12-10-8-11(13)14;;/h12H,2-10H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;3-(octylamino)propanoic acid?
sodium;hydride;3-(octylamino)propanoic acid has a molecular weight of 225.31 g/mol, XLogP of -0.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-(octylamino)propanoic acid is sourced from PubChem (CID 175337848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).