3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

C15H19NO4 — CID 59505548

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-6-9-4-5-10(13(17)18)8-11(9)12/h4-5,8,12H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZUMGCXBQQOWLQS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.90
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505548) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505548
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-6-9-4-5-10(13(17)18)8-11(9)12/h4-5,8,12H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZUMGCXBQQOWLQS-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505548) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is CC(C)(C)OC(=O)NC1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ZUMGCXBQQOWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-6-9-4-5-10(13(17)18)8-11(9)12/h4-5,8,12H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).