TL;DR: Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester) (CAS 130539-03-6) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
Also Known As: BOC-ASN-OBZL, Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester), (S)-Benzyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate, benzyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate, benzyl 2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate
| Molecular Formula | C16H22N2O5 |
| Molecular Weight | 322.15286 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.15286 Da |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)OCC1=CC=CC=C1 |
| InChIKey | VNFPRPGXGYMAKL-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester). The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester). Following Lipinski's Rule of Five, Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester) is 130539-03-6.
The molecular formula of Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester) is C16H22N2O5.
The molecular weight of Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester) is 322.15286 g/mol.
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