(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

C19H25FN2O4 — CID 139512035

IUPAC(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)26-16(23)21-15-14-10-13(20)5-4-12(14)11-19(15)6-8-22(9-7-19)17(24)25/h4-5,10,15H,6-9,11H2,1-3H3,(H,21,23)(H,24,25)/t15-/m1/s1
InChIKeyXDKIOYKGIBCPFV-OAHLLOKOSA-N
MW364.42 g/mol
LogP3.71
Rot. Bonds1

About (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid

(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 139512035) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID139512035
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(C(=O)O)CC2
InChIInChI=1S/C19H25FN2O4/c1-18(2,3)26-16(23)21-15-14-10-13(20)5-4-12(14)11-19(15)6-8-22(9-7-19)17(24)25/h4-5,10,15H,6-9,11H2,1-3H3,(H,21,23)(H,24,25)/t15-/m1/s1
InChIKeyXDKIOYKGIBCPFV-OAHLLOKOSA-N
XLogP3.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid with MolForge

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Related Compounds

tert-butyl 1-[methyl-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 44524826
1,1-Dimethylethyl (3S)-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylate
CID 20599017
t-Butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate hydrochloride
CID 18476130
tert-butyl N-{1,3-dihydrospiro[indene-2,4'-piperidin]-3-yl}carbamate hydrochloride
CID 154577396
ethyl 4-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
CID 95788693
N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744717
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 118744853
methyl 4-[(2-methyl-2,3-dihydro-1H-inden-1-yl)amino]piperidine-1-carboxylate
CID 132283646
Tert-butyl 3-amino-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 18476131
tert-Butyl 3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylate
CID 22037089
Tert-butyl 3-amino-6-fluoro-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 49760926
tert-Butyl 4-(4-fluoro-2-methylbenzylamino)piperidine-1-carboxylate
CID 53256854

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid (CID 139512035) is (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1c2cc(F)ccc2CC12CCN(C(=O)O)CC2.
What is the InChIKey of (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is XDKIOYKGIBCPFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-18(2,3)26-16(23)21-15-14-10-13(20)5-4-12(14)11-19(15)6-8-22(9-7-19)17(24)25/h4-5,10,15H,6-9,11H2,1-3H3,(H,21,23)(H,24,25)/t15-/m1/s1.
What are the key properties of (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid?
(1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 364.42 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 139512035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).