methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

C22H29NO5 — CID 91476409

IUPACmethoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(C(=O)O)c1ccccc1.COCc1ccccc1
InChIInChI=1S/C14H19NO4.C8H10O/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10;1-9-7-8-5-3-2-4-6-8/h5-9H,1-4H3,(H,15,18)(H,16,17);2-6H,7H2,1H3
InChIKeyUHYRSHFWJVJXCU-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.34
Rot. Bonds5

About methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid

methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (PubChem CID 91476409) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.

Molecular Properties

Compound Namemethoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
PubChem CID91476409
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Namemethoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
SMILESCC(C)(C)OC(=O)NC(C)(C(=O)O)c1ccccc1.COCc1ccccc1
InChIInChI=1S/C14H19NO4.C8H10O/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10;1-9-7-8-5-3-2-4-6-8/h5-9H,1-4H3,(H,15,18)(H,16,17);2-6H,7H2,1H3
InChIKeyUHYRSHFWJVJXCU-UHFFFAOYSA-N
XLogP4.34
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-2-phenylpropanoic acid
CID 142057141
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
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
methoxymethylbenzene;methyl acetate
CID 54330728
benzyl (2R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11833827
benzyl 2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 19011458
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629

Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The IUPAC name of methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid (CID 91476409) is methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid.
What is the SMILES notation for methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The canonical SMILES for methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is CC(C)(C)OC(=O)NC(C)(C(=O)O)c1ccccc1.COCc1ccccc1.
What is the InChIKey of methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
The InChIKey is UHYRSHFWJVJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.C8H10O/c1-13(2,3)19-12(18)15-14(4,11(16)17)10-8-6-5-7-9-10;1-9-7-8-5-3-2-4-6-8/h5-9H,1-4H3,(H,15,18)(H,16,17);2-6H,7H2,1H3.
What are the key properties of methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid?
methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid has a molecular weight of 387.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene;2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid is sourced from PubChem (CID 91476409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).