sodium;hydride;methane;2-(pentylamino)propanoic acid

C9H22NNaO2 — CID 174916781

IUPACsodium;hydride;methane;2-(pentylamino)propanoic acid
SMILESC.CCCCCNC(C)C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H17NO2.CH4.Na.H/c1-3-4-5-6-9-7(2)8(10)11;;;/h7,9H,3-6H2,1-2H3,(H,10,11);1H4;;/q;;+1;-1
InChIKeyJXTBZVZKADQYDQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP-1.01
Rot. Bonds6

About sodium;hydride;methane;2-(pentylamino)propanoic acid

sodium;hydride;methane;2-(pentylamino)propanoic acid (PubChem CID 174916781) has the molecular formula C9H22NNaO2 and a molecular weight of 199.27 g/mol. Its IUPAC name is sodium;hydride;methane;2-(pentylamino)propanoic acid.

Molecular Properties

Compound Namesodium;hydride;methane;2-(pentylamino)propanoic acid
PubChem CID174916781
Molecular FormulaC9H22NNaO2
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Namesodium;hydride;methane;2-(pentylamino)propanoic acid
SMILESC.CCCCCNC(C)C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H17NO2.CH4.Na.H/c1-3-4-5-6-9-7(2)8(10)11;;;/h7,9H,3-6H2,1-2H3,(H,10,11);1H4;;/q;;+1;-1
InChIKeyJXTBZVZKADQYDQ-UHFFFAOYSA-N
XLogP-1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-1.01
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

2-(pentylamino)propanoic acid
CID 43467235
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
disodium bis(2-(dodecylamino)propanoate)
CID 141188240
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
ethyl 2-(heptylamino)propanoate
CID 61498650
2-(4-aminopentylamino)propanoic acid
CID 142180855
ethyl 2-(hexylamino)propanoate
CID 13388952

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methane;2-(pentylamino)propanoic acid?
The IUPAC name of sodium;hydride;methane;2-(pentylamino)propanoic acid (CID 174916781) is sodium;hydride;methane;2-(pentylamino)propanoic acid.
What is the SMILES notation for sodium;hydride;methane;2-(pentylamino)propanoic acid?
The canonical SMILES for sodium;hydride;methane;2-(pentylamino)propanoic acid is C.CCCCCNC(C)C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;methane;2-(pentylamino)propanoic acid?
The InChIKey is JXTBZVZKADQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.CH4.Na.H/c1-3-4-5-6-9-7(2)8(10)11;;;/h7,9H,3-6H2,1-2H3,(H,10,11);1H4;;/q;;+1;-1.
What are the key properties of sodium;hydride;methane;2-(pentylamino)propanoic acid?
sodium;hydride;methane;2-(pentylamino)propanoic acid has a molecular weight of 199.27 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methane;2-(pentylamino)propanoic acid is sourced from PubChem (CID 174916781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).