2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid

C14H31NO5Si — CID 162143782

IUPAC2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(N)C(=O)O.CCCC(=O)O
InChIInChI=1S/C10H23NO3Si.C4H8O2/c1-10(2,3)15(4,5)14-7-6-8(11)9(12)13;1-2-3-4(5)6/h8H,6-7,11H2,1-5H3,(H,12,13);2-3H2,1H3,(H,5,6)
InChIKeyZKGXXOHNVFQEAR-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.68
Rot. Bonds7

About 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid

2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid (PubChem CID 162143782) has the molecular formula C14H31NO5Si and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid.

Molecular Properties

Compound Name2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
PubChem CID162143782
Molecular FormulaC14H31NO5Si
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC Name2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCC(N)C(=O)O.CCCC(=O)O
InChIInChI=1S/C10H23NO3Si.C4H8O2/c1-10(2,3)15(4,5)14-7-6-8(11)9(12)13;1-2-3-4(5)6/h8H,6-7,11H2,1-5H3,(H,12,13);2-3H2,1H3,(H,5,6)
InChIKeyZKGXXOHNVFQEAR-UHFFFAOYSA-N
XLogP2.68
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid?
The IUPAC name of 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid (CID 162143782) is 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid.
What is the SMILES notation for 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid?
The canonical SMILES for 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid is CC(C)(C)[Si](C)(C)OCCC(N)C(=O)O.CCCC(=O)O.
What is the InChIKey of 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid?
The InChIKey is ZKGXXOHNVFQEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3Si.C4H8O2/c1-10(2,3)15(4,5)14-7-6-8(11)9(12)13;1-2-3-4(5)6/h8H,6-7,11H2,1-5H3,(H,12,13);2-3H2,1H3,(H,5,6).
What are the key properties of 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid?
2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid has a molecular weight of 321.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[tert-butyl(dimethyl)silyl]oxybutanoic acid;butanoic acid is sourced from PubChem (CID 162143782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).