Basic information
- Standard SMILES
NC(=O)[C@H](N)CCC(=O)OCc1ccccc1- InChIKey
RHKPFPFNUDBBOM-SNVBAGLBSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
Names & identifiers
- Preferred name
- D-isoglutamine benzyl ester
- IUPAC
- benzyl (4R)-4,5-diamino-5-oxopentanoate
- English name
- Pentanoic acid, 4,5-diaMino-5-oxo-, phenylMethyl ester, (R)-
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
D-isoglutamine benzyl esterSCHEMBL16917221RHKPFPFNUDBBOM-SNVBAGLBSA-NAKOS030212879D-GLUTAMINSAEURE-Α-AMID-Γ-BENZYLESTERPentanoic acid, 4,5-diaMino-5-oxo-, phenylMethyl ester, (R)-Pentanoic acid, 4,5-diamino-5-oxo-, phenylmethyl ester, (4R)-
Database identifiers
- CAS
71811-14-8
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 15.82 · 15.82±0.50(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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