tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate

C14H20N2O2 — CID 50999060

IUPACtert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1N
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-10-7-5-4-6-9(10)8-11(12)15/h4-7,11-12H,8,15H2,1-3H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXAJYUOBKHFIVFN-RYUDHWBXSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 50999060) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID50999060
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1N
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-10-7-5-4-6-9(10)8-11(12)15/h4-7,11-12H,8,15H2,1-3H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXAJYUOBKHFIVFN-RYUDHWBXSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate (CID 50999060) is tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1N.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is XAJYUOBKHFIVFN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-10-7-5-4-6-9(10)8-11(12)15/h4-7,11-12H,8,15H2,1-3H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 50999060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).