[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate

C15H21NO3 — CID 151373930

IUPAC[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate
SMILESCO[C@H]1Cc2ccccc2[C@@]1(OC(N)=O)C(C)(C)C
InChIInChI=1S/C15H21NO3/c1-14(2,3)15(19-13(16)17)11-8-6-5-7-10(11)9-12(15)18-4/h5-8,12H,9H2,1-4H3,(H2,16,17)/t12-,15-/m0/s1
InChIKeyORAHPEYZBUKVGL-WFASDCNBSA-N
MW263.34 g/mol
LogP2.59
Rot. Bonds2

About [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate

[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate (PubChem CID 151373930) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate
PubChem CID151373930
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate
SMILESCO[C@H]1Cc2ccccc2[C@@]1(OC(N)=O)C(C)(C)C
InChIInChI=1S/C15H21NO3/c1-14(2,3)15(19-13(16)17)11-8-6-5-7-10(11)9-12(15)18-4/h5-8,12H,9H2,1-4H3,(H2,16,17)/t12-,15-/m0/s1
InChIKeyORAHPEYZBUKVGL-WFASDCNBSA-N
XLogP2.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
CID 174934664
(1S,2R)-1-amino-2-hydroxy-2,3-dihydroindene-1-carboxamide
CID 22862755
(3S)-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 144752906
methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 11806156
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
[2,2-dimethyl-1-(2,4,5-trifluorophenyl)-3H-inden-1-yl] carbamate
CID 175296769
(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
CID 175925706
[(1R,2aR,7aS)-1-hydroxy-2a-methyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]methyl 2,2-dimethylpropanoate
CID 11514775
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
1-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydroisoindole-1-carboxamide
CID 175935877
tert-butyl 1-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 56849682

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate (CID 151373930) is [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate is CO[C@H]1Cc2ccccc2[C@@]1(OC(N)=O)C(C)(C)C.
What is the InChIKey of [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate?
The InChIKey is ORAHPEYZBUKVGL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,3)15(19-13(16)17)11-8-6-5-7-10(11)9-12(15)18-4/h5-8,12H,9H2,1-4H3,(H2,16,17)/t12-,15-/m0/s1.
What are the key properties of [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate?
[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 151373930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).