tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate

C11H22N2O2 — CID 57497863

IUPACtert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C11H22N2O2/c1-5-13(9-6-7-12-8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYSSKLKKEUPUEEM-VIFPVBQESA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate

tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 57497863) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID57497863
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C11H22N2O2/c1-5-13(9-6-7-12-8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYSSKLKKEUPUEEM-VIFPVBQESA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 57497863) is tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@H]1CCNC1.
What is the InChIKey of tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is YSSKLKKEUPUEEM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13(9-6-7-12-8-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 57497863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).