3-amino-4-methylsilyloxy-4-oxobutanoic acid

C5H11NO4Si — CID 173082181

IUPAC3-amino-4-methylsilyloxy-4-oxobutanoic acid
SMILESC[SiH2]OC(=O)C(N)CC(=O)O
InChIInChI=1S/C5H11NO4Si/c1-11-10-5(9)3(6)2-4(7)8/h3H,2,6,11H2,1H3,(H,7,8)
InChIKeyOQFONSQGZZENKQ-UHFFFAOYSA-N
MW177.23 g/mol
LogP-1.54
Rot. Bonds4

About 3-amino-4-methylsilyloxy-4-oxobutanoic acid

3-amino-4-methylsilyloxy-4-oxobutanoic acid (PubChem CID 173082181) has the molecular formula C5H11NO4Si and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-amino-4-methylsilyloxy-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-methylsilyloxy-4-oxobutanoic acid
PubChem CID173082181
Molecular FormulaC5H11NO4Si
Molecular Weight177.23 g/mol
Exact Mass177.05
IUPAC Name3-amino-4-methylsilyloxy-4-oxobutanoic acid
SMILESC[SiH2]OC(=O)C(N)CC(=O)O
InChIInChI=1S/C5H11NO4Si/c1-11-10-5(9)3(6)2-4(7)8/h3H,2,6,11H2,1H3,(H,7,8)
InChIKeyOQFONSQGZZENKQ-UHFFFAOYSA-N
XLogP-1.54
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
CID 20575901
4-acetyloxy-3-amino-4-oxobutanoic acid
CID 22496678
tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride
CID 173055848
(3S)-3-amino-4-oxo-4-prop-1-en-2-yloxybutanoic acid
CID 139715673
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsilyloxy-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-methylsilyloxy-4-oxobutanoic acid (CID 173082181) is 3-amino-4-methylsilyloxy-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-methylsilyloxy-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-methylsilyloxy-4-oxobutanoic acid is C[SiH2]OC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-methylsilyloxy-4-oxobutanoic acid?
The InChIKey is OQFONSQGZZENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4Si/c1-11-10-5(9)3(6)2-4(7)8/h3H,2,6,11H2,1H3,(H,7,8).
What are the key properties of 3-amino-4-methylsilyloxy-4-oxobutanoic acid?
3-amino-4-methylsilyloxy-4-oxobutanoic acid has a molecular weight of 177.23 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsilyloxy-4-oxobutanoic acid is sourced from PubChem (CID 173082181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).