2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one

C13H24N2O3 — CID 102731617

IUPAC2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H]1CCCC[C@H]1O)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-10(13(17)15-6-8-18-9-7-15)14-11-4-2-3-5-12(11)16/h10-12,14,16H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyNUMBNSXWHXNPAS-PQDIPPBSSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds3

About 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one

2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 102731617) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID102731617
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(N[C@@H]1CCCC[C@H]1O)C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-10(13(17)15-6-8-18-9-7-15)14-11-4-2-3-5-12(11)16/h10-12,14,16H,2-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyNUMBNSXWHXNPAS-PQDIPPBSSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
2-[(3-methylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113348498
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one (CID 102731617) is 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one is CC(N[C@@H]1CCCC[C@H]1O)C(=O)N1CCOCC1.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NUMBNSXWHXNPAS-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(13(17)15-6-8-18-9-7-15)14-11-4-2-3-5-12(11)16/h10-12,14,16H,2-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one?
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 102731617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).