benzyl 2-benzoylpyrrolidine-1-carboxylate

C19H19NO3 — CID 110357682

IUPACbenzyl 2-benzoylpyrrolidine-1-carboxylate
SMILESO=C(c1ccccc1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
InChIKeyZOJFSHOVLMZVTA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds4

About benzyl 2-benzoylpyrrolidine-1-carboxylate

benzyl 2-benzoylpyrrolidine-1-carboxylate (PubChem CID 110357682) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is benzyl 2-benzoylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzoylpyrrolidine-1-carboxylate
PubChem CID110357682
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namebenzyl 2-benzoylpyrrolidine-1-carboxylate
SMILESO=C(c1ccccc1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2
InChIKeyZOJFSHOVLMZVTA-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(thiophene-2-carbonyl)pyrrolidine-1-carboxylate
CID 102413104
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl (2S)-2-(1H-indole-6-carbonyl)pyrrolidine-1-carboxylate
CID 21304756
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
1-O-benzyl 2-O-(2-phenylethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 139386187
(2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid
CID 22853357
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273

Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzoylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-benzoylpyrrolidine-1-carboxylate (CID 110357682) is benzyl 2-benzoylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-benzoylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-benzoylpyrrolidine-1-carboxylate is O=C(c1ccccc1)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-benzoylpyrrolidine-1-carboxylate?
The InChIKey is ZOJFSHOVLMZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(16-10-5-2-6-11-16)17-12-7-13-20(17)19(22)23-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2.
What are the key properties of benzyl 2-benzoylpyrrolidine-1-carboxylate?
benzyl 2-benzoylpyrrolidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzoylpyrrolidine-1-carboxylate is sourced from PubChem (CID 110357682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).