methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

C22H28N2O4 — CID 93144355

IUPACmethyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2)C(C)C)c(C)n1C
InChIInChI=1S/C22H28N2O4/c1-13(2)24(21(26)17-11-9-8-10-12-17)16(5)20(25)18-14(3)19(22(27)28-7)23(6)15(18)4/h8-13,16H,1-7H3/t16-/m1/s1
InChIKeyMGMCAPMXBFGHTA-MRXNPFEDSA-N
MW384.48 g/mol
LogP3.55
Rot. Bonds6

About methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 93144355) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID93144355
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namemethyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2)C(C)C)c(C)n1C
InChIInChI=1S/C22H28N2O4/c1-13(2)24(21(26)17-11-9-8-10-12-17)16(5)20(25)18-14(3)19(22(27)28-7)23(6)15(18)4/h8-13,16H,1-7H3/t16-/m1/s1
InChIKeyMGMCAPMXBFGHTA-MRXNPFEDSA-N
XLogP3.55
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[(3-methoxybenzoyl)-propan-2-ylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677448
methyl 4-[2-[benzoyl(cyclohexyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42679333
methyl 4-[2-[(4-methoxybenzoyl)-methylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42666667
methyl 4-[2-[benzenesulfonyl(cyclopropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677993
methyl 4-[(2R)-2-[benzenesulfonyl(2-methylpropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144607
methyl 4-[(2S)-2-[benzenesulfonyl(2-methylpropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144608
methyl 4-[(2S)-2-[benzenesulfonyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144626
methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144401
methyl 4-[2-[benzoyl(cyclopropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675895
methyl 1,3,5-trimethyl-4-[(2R)-2-[methyl-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]propanoyl]pyrrole-2-carboxylate
CID 11922989
methyl 4-[2-[ethylcarbamoyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823544
methyl 4-[2-[furan-2-carbonyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677625

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 93144355) is methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2)C(C)C)c(C)n1C.
What is the InChIKey of methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is MGMCAPMXBFGHTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-13(2)24(21(26)17-11-9-8-10-12-17)16(5)20(25)18-14(3)19(22(27)28-7)23(6)15(18)4/h8-13,16H,1-7H3/t16-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.55, 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-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 93144355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).