[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid

C11H23N5O3Si — CID 68588705

IUPAC[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H23N5O3Si/c1-7(12-10(17)18)8(9-13-15-16-14-9)19-20(5,6)11(2,3)4/h7-8,12H,1-6H3,(H,17,18)(H,13,14,15,16)/t7-,8-/m0/s1
InChIKeyHNLDJYKFSICZTC-YUMQZZPRSA-N
MW301.42 g/mol
LogP1.92
Rot. Bonds5

About [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid

[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid (PubChem CID 68588705) has the molecular formula C11H23N5O3Si and a molecular weight of 301.42 g/mol. Its IUPAC name is [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid
PubChem CID68588705
Molecular FormulaC11H23N5O3Si
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1nn[nH]n1
InChIInChI=1S/C11H23N5O3Si/c1-7(12-10(17)18)8(9-13-15-16-14-9)19-20(5,6)11(2,3)4/h7-8,12H,1-6H3,(H,17,18)(H,13,14,15,16)/t7-,8-/m0/s1
InChIKeyHNLDJYKFSICZTC-YUMQZZPRSA-N
XLogP1.92
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid?
The IUPAC name of [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid (CID 68588705) is [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid is C[C@H](NC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1nn[nH]n1.
What is the InChIKey of [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid?
The InChIKey is HNLDJYKFSICZTC-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H23N5O3Si/c1-7(12-10(17)18)8(9-13-15-16-14-9)19-20(5,6)11(2,3)4/h7-8,12H,1-6H3,(H,17,18)(H,13,14,15,16)/t7-,8-/m0/s1.
What are the key properties of [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid?
[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid has a molecular weight of 301.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(2H-tetrazol-5-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 68588705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).