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

C20H25NO6 — CID 10992414

IUPAC[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1cccc2ccccc12
InChIInChI=1S/C20H25NO6/c1-14(22)26-16(13-25-21-19(23)27-20(2,3)4)12-24-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyNUBDHAMCBJHTEA-MRXNPFEDSA-N
MW375.42 g/mol
LogP3.61
Rot. Bonds7

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

[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate (PubChem CID 10992414) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
PubChem CID10992414
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
SMILESCC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1cccc2ccccc12
InChIInChI=1S/C20H25NO6/c1-14(22)26-16(13-25-21-19(23)27-20(2,3)4)12-24-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyNUBDHAMCBJHTEA-MRXNPFEDSA-N
XLogP3.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.61
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

[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-phenoxypropan-2-yl] acetate
CID 11759173
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111
[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] acetate
CID 11077480
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
[1-[4-[2-(2-methylprop-2-enoyloxy)-3-naphthalen-1-yloxypropoxy]phenoxy]-3-naphthalen-1-yloxypropan-2-yl] 2-methylprop-2-enoate
CID 68949380
tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate
CID 121230742
tert-butyl N-(2-hydroxy-3-phenoxypropoxy)carbamate
CID 10880575
3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid
CID 174252280
2-naphthalen-1-yloxyethyl acetate
CID 23049663
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-acetyl-4-nitroso-5-oxohexanoate
CID 18710680
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate?
The IUPAC name of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate (CID 10992414) is [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate is CC(=O)O[C@@H](CONC(=O)OC(C)(C)C)COc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate?
The InChIKey is NUBDHAMCBJHTEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO6/c1-14(22)26-16(13-25-21-19(23)27-20(2,3)4)12-24-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16H,12-13H2,1-4H3,(H,21,23)/t16-/m1/s1.
What are the key properties of [(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate?
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate has a molecular weight of 375.42 g/mol, XLogP of 3.61, 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-naphthalen-1-yloxypropan-2-yl] acetate is sourced from PubChem (CID 10992414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).