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Molecule
L-Methionylglycine
CAS: 14486-03-4 · C7H14N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14486-03-4
- Molecular Formula
- C7H14N2O3S
- Molecular Mass
- 206.27 g/mol
Identifiers
CAS Registry Number
14486-03-4
SMILES
CSCC[C@H](N)C(O)=NCC(=O)O
InChI Key
QXOHLNCNYLGICT-YFKPBYRVSA-N
InChI
InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
Names and Synonyms
- L-Methionylglycine Synonym
- Glycine, L-methionyl- Synonym
- Glycine, N-L-methionyl- Synonym
- L-Methionylglycine Synonym
- NSC 88865 Synonym
- 317: PN: WO2008077945 SEQID: 323 claimed protein Synonym
- 205: PN: WO2008142164 SEQID: 206 claimed protein Synonym
- 38: PN: US20100104568 SEQID: 206 claimed protein Synonym
- 218: PN: WO2010066835 SEQID: 262 unclaimed sequence Synonym
- 61: PN: WO2010070145 SEQID: 219 unclaimed sequence Synonym
- 34: PN: FR2949473 SEQID: 18 unclaimed protein Synonym
- 21: PN: WO2011023914 SEQID: 18 unclaimed protein Synonym
- 5: PN: WO2017095140 PAGE: 4 claimed sequence Synonym
- 16: PN: WO2018144831 SEQID: 16 claimed protein Synonym
- 5: PN: CN110031621 SEQID: 5 claimed sequence Synonym
- 11: PN: WO2020046069 SEQID: 12 claimed protein Synonym
- 2-[[(2S)-2-Amino-4-methylsulfanylbutanoyl]amino]acetic acid Synonym
- 2-[(2S)-2-Amino-4-(methylsulfanyl)butanamido]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.27 g/mol | CAS Common Chemistry |
| 206.267 g/mol | RDKit | |
| 206.26 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)CNC(=O)C(N)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QXOHLNCNYLGICT-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 182-183 °C | CAS Common Chemistry |
| Name | L-Methionylglycine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| 95.91 Ų | RDKit | |
| LogP | 0.10789999999999955 | RDKit |
| 0.1079 | RDKit | |
| Molar Refractivity | 53.54100000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 206.072513308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 206.27 g/mol. Edit any field — others recompute live.
