methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate

C20H23NO5 — CID 101357146

IUPACmethyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate
SMILESCOC(=O)C(=O)C[C@H](c1ccccc1)c1ccc(C)n1[C@H](C)C(=O)OC
InChIInChI=1S/C20H23NO5/c1-13-10-11-17(21(13)14(2)19(23)25-3)16(12-18(22)20(24)26-4)15-8-6-5-7-9-15/h5-11,14,16H,12H2,1-4H3/t14-,16-/m1/s1
InChIKeyQFEVTBMJKAUNFB-GDBMZVCRSA-N
MW357.41 g/mol
LogP2.79
Rot. Bonds7

About methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate

methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate (PubChem CID 101357146) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate
PubChem CID101357146
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate
SMILESCOC(=O)C(=O)C[C@H](c1ccccc1)c1ccc(C)n1[C@H](C)C(=O)OC
InChIInChI=1S/C20H23NO5/c1-13-10-11-17(21(13)14(2)19(23)25-3)16(12-18(22)20(24)26-4)15-8-6-5-7-9-15/h5-11,14,16H,12H2,1-4H3/t14-,16-/m1/s1
InChIKeyQFEVTBMJKAUNFB-GDBMZVCRSA-N
XLogP2.79
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-5,5-diphenylpentanoate
CID 18371006
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
methyl (4S)-4-(1-benzylindol-3-yl)-2-oxo-4-phenylbutanoate
CID 134944904
methyl 2-oxo-4-phenylsulfanylpentanoate
CID 10889971
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
CID 3493714
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
ethane;methyl 2-phenylbut-3-enoate
CID 177056138
methyl 4-amino-2-phenylpentanoate
CID 57041145

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate?
The IUPAC name of methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate (CID 101357146) is methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate.
What is the SMILES notation for methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate?
The canonical SMILES for methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate is COC(=O)C(=O)C[C@H](c1ccccc1)c1ccc(C)n1[C@H](C)C(=O)OC.
What is the InChIKey of methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate?
The InChIKey is QFEVTBMJKAUNFB-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13-10-11-17(21(13)14(2)19(23)25-3)16(12-18(22)20(24)26-4)15-8-6-5-7-9-15/h5-11,14,16H,12H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate?
methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate has a molecular weight of 357.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate is sourced from PubChem (CID 101357146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).