2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate

C11H21N3O2Si — CID 57194966

IUPAC2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C11H21N3O2Si/c1-17(2,3)5-4-16-11(15)10(12)6-9-7-13-8-14-9/h7-8,10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyHRRPZZBSDYIHRQ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.16
Rot. Bonds6

About 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate

2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (PubChem CID 57194966) has the molecular formula C11H21N3O2Si and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
PubChem CID57194966
Molecular FormulaC11H21N3O2Si
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
SMILESC[Si](C)(C)CCOC(=O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C11H21N3O2Si/c1-17(2,3)5-4-16-11(15)10(12)6-9-7-13-8-14-9/h7-8,10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyHRRPZZBSDYIHRQ-UHFFFAOYSA-N
XLogP1.16
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
2-propan-2-yloxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61278463
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 104563198
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
decyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 176896524
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
2-cyclopropylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 106202649
2-phenoxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61303057
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate (CID 57194966) is 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is C[Si](C)(C)CCOC(=O)C(N)Cc1cnc[nH]1.
What is the InChIKey of 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is HRRPZZBSDYIHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2Si/c1-17(2,3)5-4-16-11(15)10(12)6-9-7-13-8-14-9/h7-8,10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate?
2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 255.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-amino-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 57194966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).