(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid

C15H21NO2Si — CID 59451860

IUPAC(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc(C#C[Si](C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO2Si/c1-12(15(17)18)16-11-14-7-5-13(6-8-14)9-10-19(2,3)4/h5-8,12,16H,11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyBMFZMLSXKPCXCU-GFCCVEGCSA-N
MW275.42 g/mol
LogP2.48
Rot. Bonds4

About (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid

(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid (PubChem CID 59451860) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid
PubChem CID59451860
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid
SMILESC[C@@H](NCc1ccc(C#C[Si](C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H21NO2Si/c1-12(15(17)18)16-11-14-7-5-13(6-8-14)9-10-19(2,3)4/h5-8,12,16H,11H2,1-4H3,(H,17,18)/t12-/m1/s1
InChIKeyBMFZMLSXKPCXCU-GFCCVEGCSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
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

2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
2-[(4-tert-butylphenyl)methylamino]propanoic acid
CID 43467143
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
S-[[4-(2-trimethylsilylethynyl)phenyl]methyl] ethanethioate
CID 10659177
2-[(3,4-dimethylphenyl)methylamino]propanoic acid
CID 61499358
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
CID 45486472
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
(2S)-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanoic acid
CID 83194888
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid (CID 59451860) is (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid is C[C@@H](NCc1ccc(C#C[Si](C)(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid?
The InChIKey is BMFZMLSXKPCXCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-12(15(17)18)16-11-14-7-5-13(6-8-14)9-10-19(2,3)4/h5-8,12,16H,11H2,1-4H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid?
(2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid has a molecular weight of 275.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-trimethylsilylethynyl)phenyl]methylamino]propanoic acid is sourced from PubChem (CID 59451860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).