benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate

C20H22N2O3 — CID 14614673

IUPACbenzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCN(C(=O)C1CCCN1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21(17-11-6-3-7-12-17)19(23)18-13-8-14-22(18)20(24)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3
InChIKeySHRYSFYHIGEBHD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds4

About benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 14614673) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID14614673
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCN(C(=O)C1CCCN1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21(17-11-6-3-7-12-17)19(23)18-13-8-14-22(18)20(24)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3
InChIKeySHRYSFYHIGEBHD-UHFFFAOYSA-N
XLogP3.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate
CID 90904602
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
1-O-benzyl 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91699700
benzyl 2-(2-acetyl-3-oxobutanoyl)pyrrolidine-1-carboxylate
CID 59850464
benzyl 2-[(4-nitrophenoxy)-phenylcarbamoyl]pyrrolidine-1-carboxylate
CID 91552658

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 14614673) is benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate is CN(C(=O)C1CCCN1C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is SHRYSFYHIGEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21(17-11-6-3-7-12-17)19(23)18-13-8-14-22(18)20(24)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3.
What are the key properties of benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[methyl(phenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 14614673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).