[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate

C19H19NO4 — CID 11278796

IUPAC[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](NC(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-13(21)24-18-11-17(15-9-5-6-10-16(15)18)20-19(22)23-12-14-7-3-2-4-8-14/h2-10,17-18H,11-12H2,1H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyFCYHILFZEGGUFY-ZWKOTPCHSA-N
MW325.36 g/mol
LogP3.66
Rot. Bonds4

About [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate

[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate (PubChem CID 11278796) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate
PubChem CID11278796
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](NC(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO4/c1-13(21)24-18-11-17(15-9-5-6-10-16(15)18)20-19(22)23-12-14-7-3-2-4-8-14/h2-10,17-18H,11-12H2,1H3,(H,20,22)/t17-,18+/m0/s1
InChIKeyFCYHILFZEGGUFY-ZWKOTPCHSA-N
XLogP3.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The IUPAC name of [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate (CID 11278796) is [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate.
What is the SMILES notation for [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The canonical SMILES for [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate is CC(=O)O[C@@H]1C[C@H](NC(=O)OCc2ccccc2)c2ccccc21.
What is the InChIKey of [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The InChIKey is FCYHILFZEGGUFY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(21)24-18-11-17(15-9-5-6-10-16(15)18)20-19(22)23-12-14-7-3-2-4-8-14/h2-10,17-18H,11-12H2,1H3,(H,20,22)/t17-,18+/m0/s1.
What are the key properties of [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
[(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate has a molecular weight of 325.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate is sourced from PubChem (CID 11278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).