[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate

C18H21NO4 — CID 94394397

IUPAC[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO4/c1-11(23-18(22)15-7-8-16(20)19-10-15)17(21)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,19,20)/t11-,15+/m0/s1
InChIKeyMNXDSWJUBSMKEF-XHDPSFHLSA-N
MW315.37 g/mol
LogP1.82
Rot. Bonds4

About [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate

[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate (PubChem CID 94394397) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate
PubChem CID94394397
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO4/c1-11(23-18(22)15-7-8-16(20)19-10-15)17(21)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,19,20)/t11-,15+/m0/s1
InChIKeyMNXDSWJUBSMKEF-XHDPSFHLSA-N
XLogP1.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3S)-1,1-dioxothiolane-3-carboxylate
CID 94438481
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 42986216
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7866252
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204098
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7743797
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834734
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 46644479
[3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl] 6-oxopiperidine-3-carboxylate
CID 71887845
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7763733
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785250

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate (CID 94394397) is [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate is C[C@H](OC(=O)[C@@H]1CCC(=O)NC1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate?
The InChIKey is MNXDSWJUBSMKEF-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11(23-18(22)15-7-8-16(20)19-10-15)17(21)14-6-5-12-3-2-4-13(12)9-14/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,19,20)/t11-,15+/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate?
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (3R)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 94394397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).