(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate

C17H29NO3 — CID 170530170

IUPAC(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCOCC2)CC2CCCCC2C1
InChIInChI=1S/C17H29NO3/c1-13(2)17(11-14-5-3-4-6-15(14)12-17)21-16(19)18-7-9-20-10-8-18/h13-15H,3-12H2,1-2H3
InChIKeyMVZQUQVXENZIDZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds2

About (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate

(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate (PubChem CID 170530170) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate
PubChem CID170530170
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCOCC2)CC2CCCCC2C1
InChIInChI=1S/C17H29NO3/c1-13(2)17(11-14-5-3-4-6-15(14)12-17)21-16(19)18-7-9-20-10-8-18/h13-15H,3-12H2,1-2H3
InChIKeyMVZQUQVXENZIDZ-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate with MolForge

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Related Compounds

(1-propan-2-ylcyclopentyl) thiomorpholine-4-carboxylate
CID 170530086
methyl morpholine-4-carboxylate
CID 12575354
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
(2R)-1-morpholin-4-yl-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 92982714
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate?
The IUPAC name of (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate (CID 170530170) is (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate.
What is the SMILES notation for (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate?
The canonical SMILES for (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate is CC(C)C1(OC(=O)N2CCOCC2)CC2CCCCC2C1.
What is the InChIKey of (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate?
The InChIKey is MVZQUQVXENZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)17(11-14-5-3-4-6-15(14)12-17)21-16(19)18-7-9-20-10-8-18/h13-15H,3-12H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate?
(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl) morpholine-4-carboxylate is sourced from PubChem (CID 170530170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).