methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C22H25ClN2O4 — CID 93144401

IUPACmethyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)n1C
InChIInChI=1S/C22H25ClN2O4/c1-12-18(13(2)24(4)19(12)22(28)29-5)20(26)14(3)25(15-10-11-15)21(27)16-8-6-7-9-17(16)23/h6-9,14-15H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyZKDUNBOXGATLFB-CQSZACIVSA-N
MW416.91 g/mol
LogP3.96
Rot. Bonds6

About methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 93144401) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID93144401
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Namemethyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)n1C
InChIInChI=1S/C22H25ClN2O4/c1-12-18(13(2)24(4)19(12)22(28)29-5)20(26)14(3)25(15-10-11-15)21(27)16-8-6-7-9-17(16)23/h6-9,14-15H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyZKDUNBOXGATLFB-CQSZACIVSA-N
XLogP3.96
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 4-[(2S)-2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144590
methyl 4-[2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677644
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333
methyl 4-[(2R)-2-[cyclopropyl(thiophene-2-carbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144399
methyl 4-[(2S)-2-[cyclopropanecarbonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144416
methyl 4-[2-[benzenesulfonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677993
methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144355
methyl 1,3,5-trimethyl-4-[(2R)-2-[methyl-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]propanoyl]pyrrole-2-carboxylate
CID 11922989
methyl 4-[2-[benzoyl(cyclopropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675895
ethyl 4-[2-[cyclohexyl-(4-methoxybenzoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679958
methyl 4-[(2S)-2-[cyclopentanecarbonyl(ethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144382
methyl 4-[2-[(4-methoxybenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42666667

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 93144401) is methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C2CC2)c(C)n1C.
What is the InChIKey of methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is ZKDUNBOXGATLFB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-12-18(13(2)24(4)19(12)22(28)29-5)20(26)14(3)25(15-10-11-15)21(27)16-8-6-7-9-17(16)23/h6-9,14-15H,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 416.91 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 93144401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).