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(R)-Tert-Butyl Pyrrolidin-3-Ylcarbamate
CAS: 122536-77-0 | C9H18N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
122536-77-0
Molecular Formula:
C9H18N2O2
Molecular Mass:
186.26 g/mol
Names and Synonyms:
(R)-Tert-Butyl Pyrrolidin-3-Ylcarbamate
Carbamic acid, N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester
3R-(t-Boc-Amino)pyrrolidine
(3R)-(+)-3-Bocaminopyrrolidine
(3R)-(+)-3-[(tert-Butoxycarbonyl)amino]pyrrolidine
tert-Butyl ((3R)-pyrrolidin-3-yl)carbamate
(3R)-3-(tert-Butoxycarbonylamino)pyrrolidine
(R)-3-(BOC-amino)pyrrolidine
(R)-Pyrrolidin-3-ylcarbamic acid tert-butyl ester
(R)-(+)-3-(tert-Butyloxycarbonylamino)pyrrolidine
(R)-3-(tert-Butoxycarbonylamino)pyrrolidine
tert-Butyl(R)-N-pyrrolidin-3-ylcarbamate
(Pyrrolidin-3-yl)carbamic acid (R)-tert-butyl ester
(R)-(Pyrrolidin-3-yl)carbamic acid tert-butyl ester
(R)-(+)-3-[N-(tert-Butyloxycarbonyl)amino]pyrrolidine
tert-Butyl (R)-N-(pyrrolidin-3-yl)carbamate
(R)-N-(Pyrrolidin-3-yl)carbamic acid tert-butyl ester
3-(R)-(tert-Butoxycarbonylamino)pyrrolidine
tert-Butyl ((R)-pyrrolidin-3-yl)carbamate
(R)-tert-Butyl pyrrolidin-3-ylcarbamate
(R)-(+)-3-(Boc-amino)pyrrolidine
(R)-3-(+)-(Boc-amino)pyrrolidine
Carbamic acid, 3-pyrrolidinyl-, 1,1-dimethylethyl ester, (R)-
Carbamic acid, (3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester
(3R)-3-(N-tert-Butoxycarbonylamino)pyrrolidine
(R)-3-tert-Butoxycarbonylaminopyrrolidine
(3R)-3-(tert-Butoxycarbonylamino)pyrrolidine
Identifiers:
SMILES:
CC(C)(C)OC(O)=N[C@@H]1CCNC1
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.26 g/mol | CAS Common Chemistry |
| 186.25499999999997 g/mol | RDKit | |
| 186.136827816 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC1CNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DQQJBEAXSOOCPG-SSDOTTSWSA-N | CAS Common Chemistry |
| Name | (R)-tert-Butyl pyrrolidin-3-ylcarbamate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.85 Ų | RDKit |
| LogP | 1.0774 | RDKit |
| Molar Refractivity | 52.17650000000003 | RDKit |
