[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate

C16H23NO6 — CID 11759173

IUPAC[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1ccccc1
InChIInChI=1S/C16H23NO6/c1-12(18)22-14(10-20-13-8-6-5-7-9-13)11-21-17-15(19)23-16(2,3)4/h5-9,14H,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyGHDRMIMPROFEDH-CQSZACIVSA-N
MW325.36 g/mol
LogP2.45
Rot. Bonds7

About [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate

[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate (PubChem CID 11759173) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
PubChem CID11759173
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1ccccc1
InChIInChI=1S/C16H23NO6/c1-12(18)22-14(10-20-13-8-6-5-7-9-13)11-21-17-15(19)23-16(2,3)4/h5-9,14H,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyGHDRMIMPROFEDH-CQSZACIVSA-N
XLogP2.45
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 10992414
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
[1-phenoxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 163634845
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoate
CID 118862902
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476
[(2R)-1-cyano-3-phenoxypropan-2-yl] acetate
CID 101129348
[1-(oxan-2-yloxy)-3-phenoxypropan-2-yl] acetate
CID 91428656
[(2S,3R)-3-benzyl-4-phenoxybutan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121455356
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropyl] acetate
CID 70164650
[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 102589815

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate (CID 11759173) is [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate is CC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1ccccc1.
What is the InChIKey of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate?
The InChIKey is GHDRMIMPROFEDH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO6/c1-12(18)22-14(10-20-13-8-6-5-7-9-13)11-21-17-15(19)23-16(2,3)4/h5-9,14H,10-11H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate?
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate has a molecular weight of 325.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate is sourced from PubChem (CID 11759173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).