benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate

C15H19NO3 — CID 102084065

IUPACbenzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyQCQVDRPJQCXUMK-CQSZACIVSA-N
MW261.32 g/mol
LogP2.77
Rot. Bonds4

About benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 102084065) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID102084065
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyQCQVDRPJQCXUMK-CQSZACIVSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate (CID 102084065) is benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate is CC(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is QCQVDRPJQCXUMK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(17)10-14-8-5-9-16(14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102084065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).