tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

C18H27NO4 — CID 101134565

IUPACtert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO4/c1-16(2,3)22-14(20)18(7,13-11-9-8-10-12-13)19-15(21)23-17(4,5)6/h8-12H,1-7H3,(H,19,21)/t18-/m1/s1
InChIKeyARKAYRYERZTHBP-GOSISDBHSA-N
MW321.42 g/mol
LogP3.77
Rot. Bonds3

About tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (PubChem CID 101134565) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
PubChem CID101134565
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nametert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCC(C)(C)OC(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO4/c1-16(2,3)22-14(20)18(7,13-11-9-8-10-12-13)19-15(21)23-17(4,5)6/h8-12H,1-7H3,(H,19,21)/t18-/m1/s1
InChIKeyARKAYRYERZTHBP-GOSISDBHSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
acetic acid;tert-butyl N-(1-amino-1-imino-2-phenylpropan-2-yl)carbamate
CID 155819932
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 91476409
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-phenylbutanoate
CID 21357710
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-[(1R)-1-dimethoxyphosphoryl-1-phenylethyl]carbamate
CID 122225403
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
CID 69174431
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 127263628
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The IUPAC name of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (CID 101134565) is tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The canonical SMILES for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is CC(C)(C)OC(=O)N[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The InChIKey is ARKAYRYERZTHBP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27NO4/c1-16(2,3)22-14(20)18(7,13-11-9-8-10-12-13)19-15(21)23-17(4,5)6/h8-12H,1-7H3,(H,19,21)/t18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate has a molecular weight of 321.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is sourced from PubChem (CID 101134565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).