benzyl 3-aminopyrrolidine-1-carboxylate

C12H16N2O2 — CID 2756614

IUPACbenzyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKeyFPXJNSKAXZNWMQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds2

About benzyl 3-aminopyrrolidine-1-carboxylate

benzyl 3-aminopyrrolidine-1-carboxylate (PubChem CID 2756614) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is benzyl 3-aminopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-aminopyrrolidine-1-carboxylate
PubChem CID2756614
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namebenzyl 3-aminopyrrolidine-1-carboxylate
SMILESNC1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKeyFPXJNSKAXZNWMQ-UHFFFAOYSA-N
XLogP1.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-aminopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-aminopyrrolidine-1-carboxylate (CID 2756614) is benzyl 3-aminopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-aminopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-aminopyrrolidine-1-carboxylate is NC1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-aminopyrrolidine-1-carboxylate?
The InChIKey is FPXJNSKAXZNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2.
What are the key properties of benzyl 3-aminopyrrolidine-1-carboxylate?
benzyl 3-aminopyrrolidine-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-aminopyrrolidine-1-carboxylate is sourced from PubChem (CID 2756614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).