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Molecule
L-Tryptophanylglycine
CAS: 7360-09-0 · C13H15N3O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7360-09-0
- Molecular Formula
- C13H15N3O3
- Molecular Mass
- 261.28 g/mol
Identifiers
CAS Registry Number
7360-09-0
SMILES
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(=O)O
InChI Key
UYKREHOKELZSPB-JTQLQIEISA-N
InChI
InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1
Names and Synonyms
- L-Tryptophanylglycine Synonym
- Glycine, L-tryptophyl- Synonym
- Glycine, N-L-tryptophyl- Synonym
- L-Tryptophylglycine Synonym
- L-Tryptophanylglycine Synonym
- NSC 97945 Synonym
- 473: PN: EP2161028 TABLE: 5 claimed protein Synonym
- 24: PN: WO2014063098 TABLE: 5 claimed protein Synonym
- 121: PN: US20130123467 SEQID: 145 claimed protein Synonym
- 8: PN: JP2014079213 TABLE: 2 claimed sequence Synonym
- 1: PN: CN109627344 SEQID: 5 claimed sequence Synonym
- (S)-2-(2-Amino-3-(1H-indol-3-yl)propanamido)acetic acid Synonym
- 11: PN: WO2019231175 SEQID: 17 claimed protein Synonym
- 2-[[(2S)-2-Azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetate Synonym
- 2-[(2S)-2-Amino-3-(1H-indol-3-yl)propanamido]acetic acid Synonym
- 42: PN: WO2020097235 SEQID: 271 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.28 g/mol | CAS Common Chemistry |
| 261.28099999999995 g/mol | RDKit | |
| 261.281 g/mol | RDKit | |
| 262.289 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)CNC(=O)C(N)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYKREHOKELZSPB-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C | CAS Common Chemistry |
| Name | L-Tryptophanylglycine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.7 Ų | RDKit |
| 107.91 Ų | chempirical lib | |
| LogP | 1.0788000000000002 | RDKit |
| 1.0788 | RDKit | |
| 1.03 | chempirical lib | |
| Molar Refractivity | 72.54470000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| Exact Mass | 261.11134134 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 261.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H15N3O3.
