2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide

C8H19NO4Si — CID 72527433

IUPAC2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide
SMILESC[Si](C)(C)CNC(=O)C(O)C(O)CO
InChIInChI=1S/C8H19NO4Si/c1-14(2,3)5-9-8(13)7(12)6(11)4-10/h6-7,10-12H,4-5H2,1-3H3,(H,9,13)
InChIKeyJJMVTTCLJKDEIK-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.31
Rot. Bonds5

About 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide

2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide (PubChem CID 72527433) has the molecular formula C8H19NO4Si and a molecular weight of 221.33 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide
PubChem CID72527433
Molecular FormulaC8H19NO4Si
Molecular Weight221.33 g/mol
Exact Mass221.11
IUPAC Name2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide
SMILESC[Si](C)(C)CNC(=O)C(O)C(O)CO
InChIInChI=1S/C8H19NO4Si/c1-14(2,3)5-9-8(13)7(12)6(11)4-10/h6-7,10-12H,4-5H2,1-3H3,(H,9,13)
InChIKeyJJMVTTCLJKDEIK-UHFFFAOYSA-N
XLogP-1.31
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4R)-N-ethyl-2,3,4,5-tetrahydroxypentanamide
CID 91224788
2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(E)-5,6,7-trihydroxy-3-methylhept-2-en-4-one
CID 142665515
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
CID 156664659
2,3,4,5,6-pentahydroxy-N-prop-2-ynylhexanamide
CID 58210245
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
CID 135157558
(3S,4R)-3,4,5-trihydroxy-1-methoxypentan-2-one
CID 90002690

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide?
The IUPAC name of 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide (CID 72527433) is 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide?
The canonical SMILES for 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide is C[Si](C)(C)CNC(=O)C(O)C(O)CO.
What is the InChIKey of 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide?
The InChIKey is JJMVTTCLJKDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4Si/c1-14(2,3)5-9-8(13)7(12)6(11)4-10/h6-7,10-12H,4-5H2,1-3H3,(H,9,13).
What are the key properties of 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide?
2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide has a molecular weight of 221.33 g/mol, XLogP of -1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-(trimethylsilylmethyl)butanamide is sourced from PubChem (CID 72527433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).