tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate

C17H27NO4 — CID 10892254

IUPACtert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate
SMILESCOC[C@H](N[C@](C)(CO)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO4/c1-16(2,3)22-15(20)17(4,12-19)18-14(11-21-5)13-9-7-6-8-10-13/h6-10,14,18-19H,11-12H2,1-5H3/t14-,17+/m0/s1
InChIKeyUDKZDCNURSDUBU-WMLDXEAASA-N
MW309.41 g/mol
LogP2.06
Rot. Bonds7

About tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate

tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate (PubChem CID 10892254) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate
PubChem CID10892254
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nametert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate
SMILESCOC[C@H](N[C@](C)(CO)C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO4/c1-16(2,3)22-15(20)17(4,12-19)18-14(11-21-5)13-9-7-6-8-10-13/h6-10,14,18-19H,11-12H2,1-5H3/t14-,17+/m0/s1
InChIKeyUDKZDCNURSDUBU-WMLDXEAASA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate?
The IUPAC name of tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate (CID 10892254) is tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate is COC[C@H](N[C@](C)(CO)C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate?
The InChIKey is UDKZDCNURSDUBU-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27NO4/c1-16(2,3)22-15(20)17(4,12-19)18-14(11-21-5)13-9-7-6-8-10-13/h6-10,14,18-19H,11-12H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate?
tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate has a molecular weight of 309.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-hydroxy-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 10892254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).