tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate

C10H20N2O2 — CID 22869529

IUPACtert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyDPJPFGHHTJLWQQ-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate (PubChem CID 22869529) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
PubChem CID22869529
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyDPJPFGHHTJLWQQ-QMMMGPOBSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CID 11521263
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
3-(Boc-amino)piperidine
CID 4233041
tert-butyl [(3S)-1-cyanopyrrolidin-3-yl]carbamate
CID 59028747
(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine
CID 2756484
(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
CID 2760898
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
(R)-(+)-1-Boc-3-aminopyrrolidine
CID 854070
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate (CID 22869529) is tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCCN1.
What is the InChIKey of tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
The InChIKey is DPJPFGHHTJLWQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 22869529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).