tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate

C13H29NO3Si — CID 132916594

IUPACtert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCC(C)(C)OC(=O)[C@H](N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO3Si/c1-12(2,3)17-11(15)10(14)9-16-18(7,8)13(4,5)6/h10H,9,14H2,1-8H3/t10-/m1/s1
InChIKeyUSATXXGSVSROPV-SNVBAGLBSA-N
MW275.47 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate

tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 132916594) has the molecular formula C13H29NO3Si and a molecular weight of 275.47 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID132916594
Molecular FormulaC13H29NO3Si
Molecular Weight275.47 g/mol
Exact Mass275.19
IUPAC Nametert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCC(C)(C)OC(=O)[C@H](N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29NO3Si/c1-12(2,3)17-11(15)10(14)9-16-18(7,8)13(4,5)6/h10H,9,14H2,1-8H3/t10-/m1/s1
InChIKeyUSATXXGSVSROPV-SNVBAGLBSA-N
XLogP2.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl 2-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylamino]acetate
CID 87652886
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
tert-butyl (2R)-2-aminobutanoate
CID 13283520
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 23697835

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 132916594) is tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate is CC(C)(C)OC(=O)[C@H](N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is USATXXGSVSROPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-12(2,3)17-11(15)10(14)9-16-18(7,8)13(4,5)6/h10H,9,14H2,1-8H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 275.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 132916594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).