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Molecule
Glycocyamine
CAS: 352-97-6 · C3H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 352-97-6
- Molecular Formula
- C3H7N3O2
- Molecular Mass
- 117.11 g/mol
Identifiers
CAS Registry Number
352-97-6
SMILES
N=C(N)NCC(=O)O
InChI Key
BPMFZUMJYQTVII-UHFFFAOYSA-N
InChI
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
Names and Synonyms
- Glycocyamine Synonym
- Glycine, N-(aminoiminomethyl)- Synonym
- Glycine, N-amidino- Synonym
- N-(Aminoiminomethyl)glycine Synonym
- Betacyamine Synonym
- Glycocyamine Synonym
- Guanidine, (carboxymethyl)- Synonym
- Guanidineacetic acid Synonym
- Guanidinoacetic acid Synonym
- Guanidoacetic acid Synonym
- Guanyl glycine Synonym
- Acetic acid, [(aminoiminomethyl)amino]- Synonym
- Guanidylacetic acid Synonym
- Betasyamine Synonym
- α-Guanidinoacetic acid Synonym
- β-Guanidinoacetic acid Synonym
- N-Amidinoglycine Synonym
- 2-[[Amino(imino)methyl]amino]acetic acid Synonym
- NSC 1901 Synonym
- NSC 227847 Synonym
- NSC 26360 Synonym
- 2-Guanidinoacetic acid Synonym
- 2-Carbamimidamidoacetic acid Synonym
- 2-(Diaminomethylideneazaniumyl)acetate Synonym
- 2-[(Diaminomethylidene)amino]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.11 g/mol | CAS Common Chemistry |
| 117.10799999999999 g/mol | RDKit | |
| 117.108 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glycocyamine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=BPMFZUMJYQTVII-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Guanidinoacetic acid | CAS Common Chemistry |
| Glycocyamine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.2 Ų | RDKit |
| LogP | -1.4459299999999997 | RDKit |
| -1.4459 | RDKit | |
| Molar Refractivity | 27.5526 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 117.053826464 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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120
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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 = 117.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7N3O2.
