ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate

C17H23NO5 — CID 59460572

IUPACethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-5-22-15(20)10-6-7-12-11(8-10)9-13(19)14(12)18-16(21)23-17(2,3)4/h6-8,13-14,19H,5,9H2,1-4H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyOIVKWZGNMZEPRI-ZIAGYGMSSA-N
MW321.37 g/mol
LogP2.35
Rot. Bonds3

About ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate

ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59460572) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59460572
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nameethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-5-22-15(20)10-6-7-12-11(8-10)9-13(19)14(12)18-16(21)23-17(2,3)4/h6-8,13-14,19H,5,9H2,1-4H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyOIVKWZGNMZEPRI-ZIAGYGMSSA-N
XLogP2.35
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59460572) is ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate is CCOC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is OIVKWZGNMZEPRI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23NO5/c1-5-22-15(20)10-6-7-12-11(8-10)9-13(19)14(12)18-16(21)23-17(2,3)4/h6-8,13-14,19H,5,9H2,1-4H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?
ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59460572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).