sodium;3-(hexadecylamino)propanoic acid;hydride

C19H40NNaO2 — CID 175392938

IUPACsodium;3-(hexadecylamino)propanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCNCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H39NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(21)22;;/h20H,2-18H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyDMKCQTDSNFFYQY-UHFFFAOYSA-N
MW337.52 g/mol
LogP2.65
Rot. Bonds18

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

sodium;3-(hexadecylamino)propanoic acid;hydride (PubChem CID 175392938) has the molecular formula C19H40NNaO2 and a molecular weight of 337.52 g/mol. Its IUPAC name is sodium;3-(hexadecylamino)propanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-(hexadecylamino)propanoic acid;hydride
PubChem CID175392938
Molecular FormulaC19H40NNaO2
Molecular Weight337.52 g/mol
Exact Mass337.30
IUPAC Namesodium;3-(hexadecylamino)propanoic acid;hydride
SMILESCCCCCCCCCCCCCCCCNCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H39NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(21)22;;/h20H,2-18H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyDMKCQTDSNFFYQY-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 52.65
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;hydride;3-(octylamino)propanoic acid
CID 175337848
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
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
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;3-(hexadecylamino)propanoic acid;hydride?
The IUPAC name of sodium;3-(hexadecylamino)propanoic acid;hydride (CID 175392938) is sodium;3-(hexadecylamino)propanoic acid;hydride.
What is the SMILES notation for sodium;3-(hexadecylamino)propanoic acid;hydride?
The canonical SMILES for sodium;3-(hexadecylamino)propanoic acid;hydride is CCCCCCCCCCCCCCCCNCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-(hexadecylamino)propanoic acid;hydride?
The InChIKey is DMKCQTDSNFFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(21)22;;/h20H,2-18H2,1H3,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;3-(hexadecylamino)propanoic acid;hydride?
sodium;3-(hexadecylamino)propanoic acid;hydride has a molecular weight of 337.52 g/mol, XLogP of 2.65, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(hexadecylamino)propanoic acid;hydride is sourced from PubChem (CID 175392938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).