tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate

C19H30N2O5 — CID 102487316

IUPACtert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)20-14(12-22)15(13-10-8-7-9-11-13)21-17(24)26-19(4,5)6/h7-11,14-15,22H,12H2,1-6H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1
InChIKeyJJMYGECRGUHBDF-LSDHHAIUSA-N
MW366.46 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate

tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate (PubChem CID 102487316) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate
PubChem CID102487316
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)20-14(12-22)15(13-10-8-7-9-11-13)21-17(24)26-19(4,5)6/h7-11,14-15,22H,12H2,1-6H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1
InChIKeyJJMYGECRGUHBDF-LSDHHAIUSA-N
XLogP3.14
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate (CID 102487316) is tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate?
The InChIKey is JJMYGECRGUHBDF-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)25-16(23)20-14(12-22)15(13-10-8-7-9-11-13)21-17(24)26-19(4,5)6/h7-11,14-15,22H,12H2,1-6H3,(H,20,23)(H,21,24)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 102487316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).