methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate

C21H21N3O3 — CID 132502209

IUPACmethyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate
SMILESCOC(=O)[C@H](Cc1cn(-c2ccccc2)c(-c2ccccc2)n1)NC(C)=O
InChIInChI=1S/C21H21N3O3/c1-15(25)22-19(21(26)27-2)13-17-14-24(18-11-7-4-8-12-18)20(23-17)16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyMALDPUBMJGADQE-IBGZPJMESA-N
MW363.42 g/mol
LogP2.76
Rot. Bonds6

About methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate

methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate (PubChem CID 132502209) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate
PubChem CID132502209
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Namemethyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate
SMILESCOC(=O)[C@H](Cc1cn(-c2ccccc2)c(-c2ccccc2)n1)NC(C)=O
InChIInChI=1S/C21H21N3O3/c1-15(25)22-19(21(26)27-2)13-17-14-24(18-11-7-4-8-12-18)20(23-17)16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyMALDPUBMJGADQE-IBGZPJMESA-N
XLogP2.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate?
The IUPAC name of methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate (CID 132502209) is methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate?
The canonical SMILES for methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate is COC(=O)[C@H](Cc1cn(-c2ccccc2)c(-c2ccccc2)n1)NC(C)=O.
What is the InChIKey of methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate?
The InChIKey is MALDPUBMJGADQE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15(25)22-19(21(26)27-2)13-17-14-24(18-11-7-4-8-12-18)20(23-17)16-9-5-3-6-10-16/h3-12,14,19H,13H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate?
methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate has a molecular weight of 363.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-acetamido-3-(1,2-diphenylimidazol-4-yl)propanoate is sourced from PubChem (CID 132502209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).