(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid

C25H23NO2 — CID 140630872

IUPAC(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid
SMILESCC1=CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C25H23NO2/c1-19-17-18-26(23(19)24(27)28)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23H,18H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyLQXPUOLZHVAMSU-QHCPKHFHSA-N
MW369.46 g/mol
LogP4.69
Rot. Bonds5

About (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid

(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid (PubChem CID 140630872) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid
PubChem CID140630872
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid
SMILESCC1=CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)O
InChIInChI=1S/C25H23NO2/c1-19-17-18-26(23(19)24(27)28)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23H,18H2,1H3,(H,27,28)/t23-/m0/s1
InChIKeyLQXPUOLZHVAMSU-QHCPKHFHSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-oxo-1-tritylpyrrolidine-2-carboxylic acid
CID 69352190
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
(2S)-1-tritylpyrrolidine-2,4-dicarboxylic acid
CID 69364853
1-tritylazetidine-3-carboxylic acid
CID 53445406
methyl 1-tritylazetidine-2-carboxylate
CID 22328406
(2R,3S)-3-methyl-1-tritylaziridine-2-carboxylic acid
CID 87794852
2-(1-tritylaziridin-2-yl)propan-2-ol
CID 134197925
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
ethyl (E)-3-(1-tritylaziridin-2-yl)prop-2-enoate
CID 11292027
1-(1-tritylaziridin-2-yl)propan-1-ol
CID 163775047
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
2-[(1-tritylaziridine-2-carbonyl)amino]acetic acid
CID 142700797

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid?
The IUPAC name of (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid (CID 140630872) is (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid is CC1=CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1C(=O)O.
What is the InChIKey of (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid?
The InChIKey is LQXPUOLZHVAMSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19-17-18-26(23(19)24(27)28)25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23H,18H2,1H3,(H,27,28)/t23-/m0/s1.
What are the key properties of (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid?
(2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid has a molecular weight of 369.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-trityl-2,5-dihydropyrrole-2-carboxylic acid is sourced from PubChem (CID 140630872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).