dihydroxysilyl (2S)-2,6-diaminohexanoate

C6H16N2O4Si — CID 123678119

IUPACdihydroxysilyl (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)O[SiH](O)O
InChIInChI=1S/C6H16N2O4Si/c7-4-2-1-3-5(8)6(9)12-13(10)11/h5,10-11,13H,1-4,7-8H2/t5-/m0/s1
InChIKeyJMRVFCROHLPEHX-YFKPBYRVSA-N
MW208.29 g/mol
LogP-2.31
Rot. Bonds6

About dihydroxysilyl (2S)-2,6-diaminohexanoate

dihydroxysilyl (2S)-2,6-diaminohexanoate (PubChem CID 123678119) has the molecular formula C6H16N2O4Si and a molecular weight of 208.29 g/mol. Its IUPAC name is dihydroxysilyl (2S)-2,6-diaminohexanoate.

Molecular Properties

Compound Namedihydroxysilyl (2S)-2,6-diaminohexanoate
PubChem CID123678119
Molecular FormulaC6H16N2O4Si
Molecular Weight208.29 g/mol
Exact Mass208.09
IUPAC Namedihydroxysilyl (2S)-2,6-diaminohexanoate
SMILESNCCCC[C@H](N)C(=O)O[SiH](O)O
InChIInChI=1S/C6H16N2O4Si/c7-4-2-1-3-5(8)6(9)12-13(10)11/h5,10-11,13H,1-4,7-8H2/t5-/m0/s1
InChIKeyJMRVFCROHLPEHX-YFKPBYRVSA-N
XLogP-2.31
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dihydroxysilyl 2,6-diaminohexanoate
CID 173078416
amino (2S)-2,6-diaminohexanoate
CID 18651785
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
formyl (2S)-2,6-diaminohexanoate
CID 57195999
1,6-diaminohexyl (2S)-2,6-diaminohexanoate
CID 57063543
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
1-aminoethyl (2S)-2,6-diaminohexanoate;trihydrochloride
CID 173222742
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199

Frequently Asked Questions

What is the IUPAC name of dihydroxysilyl (2S)-2,6-diaminohexanoate?
The IUPAC name of dihydroxysilyl (2S)-2,6-diaminohexanoate (CID 123678119) is dihydroxysilyl (2S)-2,6-diaminohexanoate.
What is the SMILES notation for dihydroxysilyl (2S)-2,6-diaminohexanoate?
The canonical SMILES for dihydroxysilyl (2S)-2,6-diaminohexanoate is NCCCC[C@H](N)C(=O)O[SiH](O)O.
What is the InChIKey of dihydroxysilyl (2S)-2,6-diaminohexanoate?
The InChIKey is JMRVFCROHLPEHX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H16N2O4Si/c7-4-2-1-3-5(8)6(9)12-13(10)11/h5,10-11,13H,1-4,7-8H2/t5-/m0/s1.
What are the key properties of dihydroxysilyl (2S)-2,6-diaminohexanoate?
dihydroxysilyl (2S)-2,6-diaminohexanoate has a molecular weight of 208.29 g/mol, XLogP of -2.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxysilyl (2S)-2,6-diaminohexanoate is sourced from PubChem (CID 123678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).