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L-Prolylglycine
CAS: 2578-57-6 | C7H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2578-57-6
Molecular Formula:
C7H12N2O3
Molecular Mass:
172.18 g/mol
Names and Synonyms:
L-Prolylglycine
Glycine, L-prolyl-
Glycine, N-L-prolyl-
L-Prolylglycine
45: PN: WO03052099 PAGE: 84 claimed protein
NSC 89175
103: PN: EP2161028 PAGE: 10 claimed protein
1: PN: KR20100018632 PAGE: 3 claimed protein
2: PN: WO2010117786 PAGE: 166 claimed protein
6: PN: WO2014063098 TABLE: 5 claimed protein
42: PN: US20130123467 SEQID: 47 claimed protein
19: PN: WO2015153838 PAGE: 89 claimed sequence
84: PN: WO2017078631 PAGE: 50 claimed protein
3: PN: US20180142240 PAGE: 82 claimed sequence
2: PN: CN108148117 PAGE: 2 claimed sequence
8: PN: JP2019112401 FIGURE: 2 claimed sequence
2-[[(2S)-Pyrrolidin-1-ium-2-carbonyl]amino]acetate
2-[(2S)-Pyrrolidin-2-ylformamido]acetic acid
Identifiers:
SMILES:
O=C(O)CN=C(O)[C@@H]1CCCN1
InChI:
InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
Key Properties
Melting Point
236 °C
CAS Common Chemistry
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 | 172.18 g/mol | CAS Common Chemistry |
| 172.18399999999997 g/mol | RDKit | |
| 172.084792244 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNC(=O)C1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RNKSNIBMTUYWSH-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 236 °C | CAS Common Chemistry |
| Name | L-Prolylglycine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.92 Ų | RDKit |
| LogP | -0.22050000000000008 | RDKit |
| Molar Refractivity | 43.59130000000002 | RDKit |
