[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid

C15H21NO3Si — CID 89499587

IUPAC[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid
SMILESC[Si](C)(C)C#Cc1cccc(C[C@@H](CO)NC(=O)O)c1
InChIInChI=1S/C15H21NO3Si/c1-20(2,3)8-7-12-5-4-6-13(9-12)10-14(11-17)16-15(18)19/h4-6,9,14,16-17H,10-11H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyKUGDGZBJRFENIU-AWEZNQCLSA-N
MW291.42 g/mol
LogP2.09
Rot. Bonds4

About [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid

[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid (PubChem CID 89499587) has the molecular formula C15H21NO3Si and a molecular weight of 291.42 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid
PubChem CID89499587
Molecular FormulaC15H21NO3Si
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid
SMILESC[Si](C)(C)C#Cc1cccc(C[C@@H](CO)NC(=O)O)c1
InChIInChI=1S/C15H21NO3Si/c1-20(2,3)8-7-12-5-4-6-13(9-12)10-14(11-17)16-15(18)19/h4-6,9,14,16-17H,10-11H2,1-3H3,(H,18,19)/t14-/m0/s1
InChIKeyKUGDGZBJRFENIU-AWEZNQCLSA-N
XLogP2.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
tert-butyl N-[3-hydroxy-1-phenyl-4-[[3-(2-trimethylsilylethynyl)phenyl]methylamino]butan-2-yl]carbamate
CID 68958578
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29135101
(2S)-2-chloro-N-[(2R)-1-hydroxy-3-(3-iodophenyl)propan-2-yl]propanamide
CID 118117116
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
[(2R)-4-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 142645077
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
phenyl-[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 18957452

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid (CID 89499587) is [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid is C[Si](C)(C)C#Cc1cccc(C[C@@H](CO)NC(=O)O)c1.
What is the InChIKey of [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid?
The InChIKey is KUGDGZBJRFENIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3Si/c1-20(2,3)8-7-12-5-4-6-13(9-12)10-14(11-17)16-15(18)19/h4-6,9,14,16-17H,10-11H2,1-3H3,(H,18,19)/t14-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid?
[(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid has a molecular weight of 291.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-[3-(2-trimethylsilylethynyl)phenyl]propan-2-yl]carbamic acid is sourced from PubChem (CID 89499587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).