[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate

C17H21NO3 — CID 97047531

IUPAC[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C17H21NO3/c1-11-5-12(2)7-14(6-11)17(20)21-10-13-8-16(19)18(9-13)15-3-4-15/h5-7,13,15H,3-4,8-10H2,1-2H3/t13-/m1/s1
InChIKeyUTSZQTIYXHPNKW-CYBMUJFWSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate

[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate (PubChem CID 97047531) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate
PubChem CID97047531
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c1
InChIInChI=1S/C17H21NO3/c1-11-5-12(2)7-14(6-11)17(20)21-10-13-8-16(19)18(9-13)15-3-4-15/h5-7,13,15H,3-4,8-10H2,1-2H3/t13-/m1/s1
InChIKeyUTSZQTIYXHPNKW-CYBMUJFWSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate with MolForge

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Related Compounds

[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2,4-dimethylbenzoate
CID 97047499
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
CID 71857487
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate
CID 119038618
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate
CID 75397933
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 97047508
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-fluoro-1-benzofuran-2-carboxylate
CID 99607288
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2-(4-iodophenyl)acetate
CID 99800520
ethyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]cyclohexane-1-carboxylate
CID 168662115
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl (2S)-2-cyclohexylsulfonyl-3-methylbutanoate
CID 99814945
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 2-(1-benzothiophen-2-yl)acetate
CID 126834061
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate?
The IUPAC name of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate (CID 97047531) is [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate.
What is the SMILES notation for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate?
The canonical SMILES for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)c1.
What is the InChIKey of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate?
The InChIKey is UTSZQTIYXHPNKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-12(2)7-14(6-11)17(20)21-10-13-8-16(19)18(9-13)15-3-4-15/h5-7,13,15H,3-4,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate?
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate has a molecular weight of 287.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate is sourced from PubChem (CID 97047531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).