tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate

C17H25NO3 — CID 91012607

IUPACtert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate
SMILESC[C@@H](OC[C@@H]1c2ccccc2C[C@H]1N)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-11(16(19)21-17(2,3)4)20-10-14-13-8-6-5-7-12(13)9-15(14)18/h5-8,11,14-15H,9-10,18H2,1-4H3/t11-,14-,15-/m1/s1
InChIKeySLRWEVWAWAQODW-KCPJHIHWSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate

tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate (PubChem CID 91012607) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate
PubChem CID91012607
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate
SMILESC[C@@H](OC[C@@H]1c2ccccc2C[C@H]1N)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-11(16(19)21-17(2,3)4)20-10-14-13-8-6-5-7-12(13)9-15(14)18/h5-8,11,14-15H,9-10,18H2,1-4H3/t11-,14-,15-/m1/s1
InChIKeySLRWEVWAWAQODW-KCPJHIHWSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate (CID 91012607) is tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate is C[C@@H](OC[C@@H]1c2ccccc2C[C@H]1N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate?
The InChIKey is SLRWEVWAWAQODW-KCPJHIHWSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(16(19)21-17(2,3)4)20-10-14-13-8-6-5-7-12(13)9-15(14)18/h5-8,11,14-15H,9-10,18H2,1-4H3/t11-,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate?
tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]methoxy]propanoate is sourced from PubChem (CID 91012607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).