(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one

C14H26N2O3 — CID 86741929

IUPAC(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESN[C@@H](CC1CCCCC1)C(O)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c15-12(10-11-4-2-1-3-5-11)13(17)14(18)16-6-8-19-9-7-16/h11-13,17H,1-10,15H2/t12-,13?/m0/s1
InChIKeyACPXSCOFTNMAQS-UEWDXFNNSA-N
MW270.37 g/mol
LogP0.50
Rot. Bonds4

About (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one

(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one (PubChem CID 86741929) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
PubChem CID86741929
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
SMILESN[C@@H](CC1CCCCC1)C(O)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O3/c15-12(10-11-4-2-1-3-5-11)13(17)14(18)16-6-8-19-9-7-16/h11-13,17H,1-10,15H2/t12-,13?/m0/s1
InChIKeyACPXSCOFTNMAQS-UEWDXFNNSA-N
XLogP0.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-morpholin-4-yl-4-oxobutan-2-yl]carbamate
CID 86741927
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 141016943
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
2,3-dihydroxy-4-morpholin-4-yl-4-oxobutanamide
CID 68766850
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one (CID 86741929) is (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one is N[C@@H](CC1CCCCC1)C(O)C(=O)N1CCOCC1.
What is the InChIKey of (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one?
The InChIKey is ACPXSCOFTNMAQS-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-12(10-11-4-2-1-3-5-11)13(17)14(18)16-6-8-19-9-7-16/h11-13,17H,1-10,15H2/t12-,13?/m0/s1.
What are the key properties of (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one?
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one has a molecular weight of 270.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 86741929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).