pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate

C11H21N3O2 — CID 176952268

IUPACpyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
SMILESO=C(NCC[C@H]1CCCN1)OC1CCNC1
InChIInChI=1S/C11H21N3O2/c15-11(16-10-4-6-12-8-10)14-7-3-9-2-1-5-13-9/h9-10,12-13H,1-8H2,(H,14,15)/t9-,10?/m1/s1
InChIKeyZYXUAOAIWXTRNE-YHMJZVADSA-N
MW227.31 g/mol
LogP0.22
Rot. Bonds4

About pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate

pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate (PubChem CID 176952268) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namepyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
PubChem CID176952268
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namepyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
SMILESO=C(NCC[C@H]1CCCN1)OC1CCNC1
InChIInChI=1S/C11H21N3O2/c15-11(16-10-4-6-12-8-10)14-7-3-9-2-1-5-13-9/h9-10,12-13H,1-8H2,(H,14,15)/t9-,10?/m1/s1
InChIKeyZYXUAOAIWXTRNE-YHMJZVADSA-N
XLogP0.22
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
piperidin-3-yl N-butylcarbamate
CID 68747208
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate?
The IUPAC name of pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate (CID 176952268) is pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate.
What is the SMILES notation for pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate?
The canonical SMILES for pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate is O=C(NCC[C@H]1CCCN1)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate?
The InChIKey is ZYXUAOAIWXTRNE-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-11(16-10-4-6-12-8-10)14-7-3-9-2-1-5-13-9/h9-10,12-13H,1-8H2,(H,14,15)/t9-,10?/m1/s1.
What are the key properties of pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate?
pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate has a molecular weight of 227.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 176952268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).