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Molecule
N-Formyl-L-Phenylalanine
CAS: 13200-85-6 · C10H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13200-85-6
- Molecular Formula
- C10H11NO3
- Molecular Mass
- 193.20 g/mol
Identifiers
CAS Registry Number
13200-85-6
SMILES
O=C(O)[C@H](Cc1ccccc1)N=CO
InChI Key
NSTPXGARCQOSAU-VIFPVBQESA-N
InChI
InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
Names and Synonyms
- N-Formyl-L-Phenylalanine Common Name
- L-Phenylalanine, N-formyl- Synonym
- Alanine, N-formyl-3-phenyl-, L- Synonym
- L-Alanine, N-formyl-3-phenyl- Synonym
- N-Formyl-L-phenylalanine Synonym
- L-N-Formylphenylalanine Synonym
- N-Formylphenylalanine Synonym
- N-Formyl-3-phenylalanine Synonym
- NSC 334342 Synonym
- (2S)-2-Formamido-3-phenylpropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.20 g/mol | CAS Common Chemistry |
| 193.20200000000003 g/mol | RDKit | |
| 193.202 g/mol | RDKit | |
| Canonical SMILES | O=CNC(C(=O)O)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NSTPXGARCQOSAU-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 161-162 °C | CAS Common Chemistry |
| Name | N-Formyl-L-phenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 1.2686000000000002 | RDKit |
| 1.2686 | RDKit | |
| Molar Refractivity | 52.69060000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 193.073893212 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 |
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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.
External Resources
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MW = 193.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO3.
