[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C18H29NO4Si — CID 67570149

IUPAC[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4Si/c1-12(2)15(19-17(21)22)16(20)13-8-10-14(11-9-13)23-24(6,7)18(3,4)5/h8-12,15,19H,1-7H3,(H,21,22)/t15-/m0/s1
InChIKeyMBQAWULISJFXIA-HNNXBMFYSA-N
MW351.52 g/mol
LogP4.55
Rot. Bonds6

About [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 67570149) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID67570149
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Name[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H29NO4Si/c1-12(2)15(19-17(21)22)16(20)13-8-10-14(11-9-13)23-24(6,7)18(3,4)5/h8-12,15,19H,1-7H3,(H,21,22)/t15-/m0/s1
InChIKeyMBQAWULISJFXIA-HNNXBMFYSA-N
XLogP4.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.55
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

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
[(3R)-1-(4-hydroxyphenyl)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamic acid
CID 67649683
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide
CID 85397560
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-(4-methoxyphenyl)methanone
CID 10950821

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 67570149) is [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)O)C(=O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is MBQAWULISJFXIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-12(2)15(19-17(21)22)16(20)13-8-10-14(11-9-13)23-24(6,7)18(3,4)5/h8-12,15,19H,1-7H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 351.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 67570149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).