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Molecule
Glycine, N-[(Phenylmethoxy)Carbonyl]-, 2,5-Dioxo-1-Pyrrolidinyl Ester
CAS: 2899-60-7 · C14H14N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2899-60-7
- Molecular Formula
- C14H14N2O6
- Molecular Mass
- 306.27 g/mol
Identifiers
CAS Registry Number
2899-60-7
SMILES
O=C(CN=C(O)OCc1ccccc1)ON1C(=O)CCC1=O
InChI Key
WSCWXNZWFZXKEH-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2O6/c17-11-6-7-12(18)16(11)22-13(19)8-15-14(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)
Names and Synonyms
- Glycine, N-[(Phenylmethoxy)Carbonyl]-, 2,5-Dioxo-1-Pyrrolidinyl Ester Systematic Name
- Glycine, N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- Succinimide, N-[(N-carboxyglycyl)oxy]-, benzyl ester Synonym
- Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-, phenylmethyl ester Synonym
- Glycine, N-carboxy-, N-benzyl ester, O-succinimido deriv. Synonym
- Carbobenzoxyglycine N-hydroxysuccinimide ester Synonym
- N-Carbobenzoxyglycine N-hydroxysuccinimide ester Synonym
- N-(Benzyloxycarbonyl)glycine N-hydroxysuccinimide ester Synonym
- 2,5-Pyrrolidinedione, 1-[[[[(phenylmethoxy)carbonyl]amino]acetyl]oxy]- Synonym
- N-(Benzyloxycarbonyl)glycine N-hydroxysuccinimidyl ester Synonym
- N-Benzyloxycarbonyl-glycyl-N-hydroxysuccinimide ester Synonym
- 2,5-Dioxopyrrolidin-1-yl 2-[[(benzyloxy)carbonyl]amino]acetate Synonym
- (2,5-Dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.27 g/mol | CAS Common Chemistry |
| 306.2740000000001 g/mol | RDKit | |
| 306.274 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCC(=O)ON2C(=O)CCC2=O | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2O6/c17-11-6-7-12(18)16(11)22-13(19)8-15-14(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20) | CAS Common Chemistry |
| InChI Key | InChIKey=WSCWXNZWFZXKEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113-114 °C | CAS Common Chemistry |
| Name | Glycine, N-[(phenylmethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.5 Ų | RDKit |
| 105.27 Ų | chempirical lib | |
| LogP | 0.7243999999999999 | RDKit |
| 0.7244 | RDKit | |
| Molar Refractivity | 73.34080000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 306.08518616799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 306.27 g/mol. Edit any field — others recompute live.
