(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide

C11H23NO3Si — CID 141326729

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(C=O)C(N)=O
InChIInChI=1S/C11H23NO3Si/c1-8(9(7-13)10(12)14)15-16(5,6)11(2,3)4/h7-9H,1-6H3,(H2,12,14)/t8-,9?/m1/s1
InChIKeyKYDPKJSUAARDGL-VEDVMXKPSA-N
MW245.40 g/mol
LogP1.70
Rot. Bonds5

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide (PubChem CID 141326729) has the molecular formula C11H23NO3Si and a molecular weight of 245.40 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
PubChem CID141326729
Molecular FormulaC11H23NO3Si
Molecular Weight245.40 g/mol
Exact Mass245.14
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)C(C=O)C(N)=O
InChIInChI=1S/C11H23NO3Si/c1-8(9(7-13)10(12)14)15-16(5,6)11(2,3)4/h7-9H,1-6H3,(H2,12,14)/t8-,9?/m1/s1
InChIKeyKYDPKJSUAARDGL-VEDVMXKPSA-N
XLogP1.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(2S,3R)-2-[azido(propan-2-ylsulfanyl)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanamide
CID 10712632
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide (CID 141326729) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide is C[C@@H](O[Si](C)(C)C(C)(C)C)C(C=O)C(N)=O.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide?
The InChIKey is KYDPKJSUAARDGL-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-8(9(7-13)10(12)14)15-16(5,6)11(2,3)4/h7-9H,1-6H3,(H2,12,14)/t8-,9?/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide has a molecular weight of 245.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylbutanamide is sourced from PubChem (CID 141326729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).