(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid

C11H23NO4Si — CID 22969902

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO4Si/c1-8(9(13)14)12(17(5,6)7)10(15)16-11(2,3)4/h8H,1-7H3,(H,13,14)/t8-/m0/s1
InChIKeyUMUKBVFUGKCTSG-QMMMGPOBSA-N
MW261.39 g/mol
LogP2.53
Rot. Bonds3

About (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid (PubChem CID 22969902) has the molecular formula C11H23NO4Si and a molecular weight of 261.39 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
PubChem CID22969902
Molecular FormulaC11H23NO4Si
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO4Si/c1-8(9(13)14)12(17(5,6)7)10(15)16-11(2,3)4/h8H,1-7H3,(H,13,14)/t8-/m0/s1
InChIKeyUMUKBVFUGKCTSG-QMMMGPOBSA-N
XLogP2.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
1-[(Tert-butoxy)carbonyl]-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 68794123
(R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 10825193
t-Butyloxycarbonyl (boc)-alanine
CID 11231566
N-(tert-Butoxycarbonyl)-3-fluoro-N-methyl-L-alanine
CID 15941024
N-(tert-Butoxycarbonyl)-N-methyl-D-alanine
CID 16211306
N-(tert-Butoxycarbonyl)-3-fluoro-N-methyl-D-alanine
CID 71427327
3-Fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 73201439
2-[Fluoromethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 88123447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid (CID 22969902) is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid is C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid?
The InChIKey is UMUKBVFUGKCTSG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H23NO4Si/c1-8(9(13)14)12(17(5,6)7)10(15)16-11(2,3)4/h8H,1-7H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid?
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid has a molecular weight of 261.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid is sourced from PubChem (CID 22969902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).