benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate

C20H22N2O3 — CID 4534491

IUPACbenzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-14-16-8-3-1-4-9-16)18-12-7-13-22(18)20(24)25-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,23)
InChIKeyXGNXPKQVONHALF-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds5

About benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate

benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 4534491) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID4534491
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(21-14-16-8-3-1-4-9-16)18-12-7-13-22(18)20(24)25-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,23)
InChIKeyXGNXPKQVONHALF-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 122623
CID 122623
CID 72430
CID 72430
CID 122019
CID 122019
CID 9871747
CID 9871747
CID 688304
CID 688304
CID 10296561
CID 10296561
CID 11444450
CID 11444450
CID 10348741
CID 10348741
CID 24898024
CID 24898024
CID 5289345
CID 5289345
CID 5311161
CID 5311161
CID 10507714
CID 10507714

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate (CID 4534491) is benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate is O=C(NCc1ccccc1)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is XGNXPKQVONHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-14-16-8-3-1-4-9-16)18-12-7-13-22(18)20(24)25-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,23).
What are the key properties of benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 4534491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).