(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid

C27H25N3O3 — CID 98008916

IUPAC(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
SMILESCC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C27H25N3O3/c1-20(31)29-25(26(32)33)17-24-18-30(19-28-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-19,25H,17H2,1H3,(H,29,31)(H,32,33)/t25-/m1/s1
InChIKeyMFOVFDBMJIPSLM-RUZDIDTESA-N
MW439.52 g/mol
LogP3.86
Rot. Bonds8

About (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid

(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid (PubChem CID 98008916) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
PubChem CID98008916
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid
SMILESCC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O
InChIInChI=1S/C27H25N3O3/c1-20(31)29-25(26(32)33)17-24-18-30(19-28-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-19,25H,17H2,1H3,(H,29,31)(H,32,33)/t25-/m1/s1
InChIKeyMFOVFDBMJIPSLM-RUZDIDTESA-N
XLogP3.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(methylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
CID 71173435
methyl (2S)-2-methyl-3-(1-tritylimidazol-4-yl)propanoate
CID 155065705
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-(1-trityl(1,3-15N2)imidazol-4-yl)propanoic acid
CID 71309336
1-(1-tritylimidazol-4-yl)propan-2-ol
CID 139755618
methyl 2-amino-3-(1-tritylimidazol-4-yl)propanoate;hydrochloride
CID 53396006
[1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamic acid
CID 154197289
2-[[2-(benzylamino)acetyl]amino]-N-methyl-3-(1-tritylimidazol-4-yl)propanamide
CID 67422629
methyl (2S)-2-(butylamino)-3-(1-tritylimidazol-4-yl)propanoate
CID 142630558
(2S,5S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-(1-tritylimidazol-4-yl)hexanoic acid
CID 168719814
3-[1-[(2-chlorophenyl)-diphenylmethyl]imidazol-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 75627314
(4S)-3-oxo-2-[[(1S)-1-phenylethyl]amino]-4-(phenylmethoxycarbonylamino)-5-(1-tritylimidazol-4-yl)pentanoic acid
CID 139912764
2-nitro-3-(1-tritylimidazol-4-yl)propan-1-ol
CID 118989851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid (CID 98008916) is (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid is CC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid?
The InChIKey is MFOVFDBMJIPSLM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H25N3O3/c1-20(31)29-25(26(32)33)17-24-18-30(19-28-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-19,25H,17H2,1H3,(H,29,31)(H,32,33)/t25-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid?
(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid has a molecular weight of 439.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 98008916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).