[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid

C12H28N2O3Si — CID 90042224

IUPAC[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
SMILESCC(N)C(CN(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28N2O3Si/c1-9(13)10(8-14(5)11(15)16)17-18(6,7)12(2,3)4/h9-10H,8,13H2,1-7H3,(H,15,16)
InChIKeyWKKAKMIMUVOHRJ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.33
Rot. Bonds5

About [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid

[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid (PubChem CID 90042224) has the molecular formula C12H28N2O3Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
PubChem CID90042224
Molecular FormulaC12H28N2O3Si
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
SMILESCC(N)C(CN(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28N2O3Si/c1-9(13)10(8-14(5)11(15)16)17-18(6,7)12(2,3)4/h9-10H,8,13H2,1-7H3,(H,15,16)
InChIKeyWKKAKMIMUVOHRJ-UHFFFAOYSA-N
XLogP2.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-oxo-4-(propan-2-ylamino)butyl]-N-methylcarbamate
CID 123313844
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylheptanoic acid
CID 15469389
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
(2-amino-3-hydroxy-3-trimethylsilylpropyl)-methylcarbamic acid
CID 174529997
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid?
The IUPAC name of [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid (CID 90042224) is [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid.
What is the SMILES notation for [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid?
The canonical SMILES for [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid is CC(N)C(CN(C)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid?
The InChIKey is WKKAKMIMUVOHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3Si/c1-9(13)10(8-14(5)11(15)16)17-18(6,7)12(2,3)4/h9-10H,8,13H2,1-7H3,(H,15,16).
What are the key properties of [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid?
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid has a molecular weight of 276.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid is sourced from PubChem (CID 90042224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).