methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate

C15H19NO3 — CID 113226248

IUPACmethyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccccc2C)C1
InChIInChI=1S/C15H19NO3/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15(18)19-2/h3-6,13H,7-10H2,1-2H3
InChIKeyUERGSNIOPZDFOQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds3

About methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate

methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate (PubChem CID 113226248) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
PubChem CID113226248
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Cc2ccccc2C)C1
InChIInChI=1S/C15H19NO3/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15(18)19-2/h3-6,13H,7-10H2,1-2H3
InChIKeyUERGSNIOPZDFOQ-UHFFFAOYSA-N
XLogP1.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679
methyl 1-[2-(2,6-dichlorophenyl)acetyl]pyrrolidine-3-carboxylate
CID 112733652
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate (CID 113226248) is methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)Cc2ccccc2C)C1.
What is the InChIKey of methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate?
The InChIKey is UERGSNIOPZDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-5-3-4-6-12(11)9-14(17)16-8-7-13(10-16)15(18)19-2/h3-6,13H,7-10H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 113226248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).