trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate

C26H24FN3O2 — CID 22821410

IUPACtrityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@](CF)(Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24FN3O2/c27-18-25(28,16-23-17-29-19-30-23)24(31)32-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17,19H,16,18,28H2,(H,29,30)/t25-/m1/s1
InChIKeyWNHZEBDNRAZMRH-RUZDIDTESA-N
MW429.50 g/mol
LogP4.15
Rot. Bonds8

About trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate

trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate (PubChem CID 22821410) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Nametrityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate
PubChem CID22821410
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Nametrityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate
SMILESN[C@@](CF)(Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24FN3O2/c27-18-25(28,16-23-17-29-19-30-23)24(31)32-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17,19H,16,18,28H2,(H,29,30)/t25-/m1/s1
InChIKeyWNHZEBDNRAZMRH-RUZDIDTESA-N
XLogP4.15
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate;naphthalene-1,5-disulfonic acid
CID 86738562
(2R)-2-amino-2-(1H-imidazol-5-ylmethyl)-3-methylbutanoic acid;hydrochloride
CID 90679615
CID 101407841
CID 101407841
(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
CID 124638542
2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 161184673
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
(2S)-2-benzyl-2-diazenyl-3-(1H-imidazol-5-yl)propanoic acid
CID 141121043
3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione
CID 5323610
methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
CID 22855169
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-methylidenepropanamide
CID 163910000
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189

Frequently Asked Questions

What is the IUPAC name of trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate?
The IUPAC name of trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate (CID 22821410) is trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate.
What is the SMILES notation for trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate?
The canonical SMILES for trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate is N[C@@](CF)(Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate?
The InChIKey is WNHZEBDNRAZMRH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H24FN3O2/c27-18-25(28,16-23-17-29-19-30-23)24(31)32-26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,17,19H,16,18,28H2,(H,29,30)/t25-/m1/s1.
What are the key properties of trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate?
trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate has a molecular weight of 429.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trityl (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 22821410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).