tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C24H35NO6 — CID 143575431

IUPACtert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CC(=O)CC1CCc2cc(O)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C24H35NO6/c1-23(2,3)30-21(28)11-12-25(22(29)31-24(4,5)6)15-19(27)14-17-8-7-16-13-18(26)9-10-20(16)17/h9-10,13,17,26H,7-8,11-12,14-15H2,1-6H3
InChIKeyFEWRORXCIRKONG-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.35
Rot. Bonds7

About tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 143575431) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID143575431
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Nametert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCC(C)(C)OC(=O)CCN(CC(=O)CC1CCc2cc(O)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C24H35NO6/c1-23(2,3)30-21(28)11-12-25(22(29)31-24(4,5)6)15-19(27)14-17-8-7-16-13-18(26)9-10-20(16)17/h9-10,13,17,26H,7-8,11-12,14-15H2,1-6H3
InChIKeyFEWRORXCIRKONG-UHFFFAOYSA-N
XLogP4.35
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 143575431) is tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CC(C)(C)OC(=O)CCN(CC(=O)CC1CCc2cc(O)ccc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is FEWRORXCIRKONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO6/c1-23(2,3)30-21(28)11-12-25(22(29)31-24(4,5)6)15-19(27)14-17-8-7-16-13-18(26)9-10-20(16)17/h9-10,13,17,26H,7-8,11-12,14-15H2,1-6H3.
What are the key properties of tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 433.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 143575431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).