methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate

C20H23NO4 — CID 124841256

IUPACmethyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C
InChIInChI=1S/C20H23NO4/c1-13-6-4-5-7-16(13)15-10-14(2)21(12-15)20(23)17-8-9-25-18(17)11-19(22)24-3/h4-9,14-15H,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyACOVKDQMDFWYFY-LSDHHAIUSA-N
MW341.41 g/mol
LogP3.32
Rot. Bonds4

About methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate

methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate (PubChem CID 124841256) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate
PubChem CID124841256
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C
InChIInChI=1S/C20H23NO4/c1-13-6-4-5-7-16(13)15-10-14(2)21(12-15)20(23)17-8-9-25-18(17)11-19(22)24-3/h4-9,14-15H,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyACOVKDQMDFWYFY-LSDHHAIUSA-N
XLogP3.32
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate?
The IUPAC name of methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate (CID 124841256) is methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate is COC(=O)Cc1occc1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C.
What is the InChIKey of methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate?
The InChIKey is ACOVKDQMDFWYFY-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-6-4-5-7-16(13)15-10-14(2)21(12-15)20(23)17-8-9-25-18(17)11-19(22)24-3/h4-9,14-15H,10-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate?
methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate has a molecular weight of 341.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2S,4S)-2-methyl-4-(2-methylphenyl)pyrrolidine-1-carbonyl]furan-2-yl]acetate is sourced from PubChem (CID 124841256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).