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

C10H20N2O2 — CID 7171888

IUPACtert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyXYKYUXYNQDXZTD-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds1

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

tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 7171888) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID7171888
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyXYKYUXYNQDXZTD-QMMMGPOBSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 7171888) is tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H]1CCNC1.
What is the InChIKey of tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is XYKYUXYNQDXZTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 7171888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).