(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione

C15H25NO4 — CID 59066405

IUPAC(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)[C@H](CO)CC1CCCCC1
InChIInChI=1S/C15H25NO4/c17-11-13(10-12-4-2-1-3-5-12)14(18)15(19)16-6-8-20-9-7-16/h12-13,17H,1-11H2/t13-/m0/s1
InChIKeyYDWGRSPLQRBQDX-ZDUSSCGKSA-N
MW283.37 g/mol
LogP0.99
Rot. Bonds5

About (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione

(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione (PubChem CID 59066405) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione.

Molecular Properties

Compound Name(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione
PubChem CID59066405
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)[C@H](CO)CC1CCCCC1
InChIInChI=1S/C15H25NO4/c17-11-13(10-12-4-2-1-3-5-12)14(18)15(19)16-6-8-20-9-7-16/h12-13,17H,1-11H2/t13-/m0/s1
InChIKeyYDWGRSPLQRBQDX-ZDUSSCGKSA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-cyclohexyl-3-hydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134965746
2-Cyclohexylmethyl-4-morpholin-4-yl-oxo-butanoic acid
CID 18768987
2-Cyclohexylmethyl-4-morpholin-4-yl-4-oxobutyric acid
CID 21899834
(R)-2-Cyclohexylmethyl-4-morpholin-4-yl-4-oxo-butyric acid
CID 59972959
(2R)-3-hydroxy-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
CID 176214195
[2-(Hydroxymethyl)cyclohexyl]-morpholin-4-ylmethanone
CID 82115266
3-Cyclohexyl-3-hydroxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 102497911
(3-Hydroxypiperidin-1-yl)-(2-propyloxan-4-yl)methanone
CID 110019546
(3-Hydroxy-4-methylpiperidin-1-yl)-(2-propyloxan-4-yl)methanone
CID 110021974
[4-(2-Hydroxyethyl)cyclohexyl]-morpholin-4-ylmethanone
CID 117562551

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione?
The IUPAC name of (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione (CID 59066405) is (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione.
What is the SMILES notation for (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione?
The canonical SMILES for (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione is O=C(C(=O)N1CCOCC1)[C@H](CO)CC1CCCCC1.
What is the InChIKey of (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione?
The InChIKey is YDWGRSPLQRBQDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO4/c17-11-13(10-12-4-2-1-3-5-12)14(18)15(19)16-6-8-20-9-7-16/h12-13,17H,1-11H2/t13-/m0/s1.
What are the key properties of (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione?
(3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione has a molecular weight of 283.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclohexylmethyl)-4-hydroxy-1-morpholin-4-ylbutane-1,2-dione is sourced from PubChem (CID 59066405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).