[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate

C19H21NO4 — CID 11472885

IUPAC[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate
SMILESCC(=O)O[C@@H]1c2cccc3cccc(c23)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H21NO4/c1-11(21)23-17-14-10-6-8-12-7-5-9-13(15(12)14)16(17)20-18(22)24-19(2,3)4/h5-10,16-17H,1-4H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyVBCCSHIFWWRSOI-IAGOWNOFSA-N
MW327.38 g/mol
LogP4.02
Rot. Bonds2

About [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate

[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate (PubChem CID 11472885) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate
PubChem CID11472885
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate
SMILESCC(=O)O[C@@H]1c2cccc3cccc(c23)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H21NO4/c1-11(21)23-17-14-10-6-8-12-7-5-9-13(15(12)14)16(17)20-18(22)24-19(2,3)4/h5-10,16-17H,1-4H3,(H,20,22)/t16-,17-/m1/s1
InChIKeyVBCCSHIFWWRSOI-IAGOWNOFSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(2R,3R)-2-(hydroxymethyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]carbamate
CID 90149697
tert-butyl N-[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 28875372
tert-butyl N-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)carbamate
CID 155681321
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[(1R,2S)-2-(2-phenylethynyl)-1,2-dihydronaphthalen-1-yl]carbamate
CID 134948268
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 18646598
tert-butyl N-[(5R,6S)-2-chloro-6-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]carbamate
CID 177204659
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067
tert-butyl N-[(1R,2S,3R,4R)-3-bromo-2-ethynyl-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 102412305
tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate;molecular hydrogen
CID 144568067

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate?
The IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate (CID 11472885) is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate.
What is the SMILES notation for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate?
The canonical SMILES for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate is CC(=O)O[C@@H]1c2cccc3cccc(c23)[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate?
The InChIKey is VBCCSHIFWWRSOI-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11(21)23-17-14-10-6-8-12-7-5-9-13(15(12)14)16(17)20-18(22)24-19(2,3)4/h5-10,16-17H,1-4H3,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate?
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate has a molecular weight of 327.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydroacenaphthylen-1-yl] acetate is sourced from PubChem (CID 11472885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).