(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid

C15H25NO4 — CID 59972959

IUPAC(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H25NO4/c17-14(16-6-8-20-9-7-16)11-13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19)/t13-/m1/s1
InChIKeyHFMGKJUNLQOLDP-CYBMUJFWSA-N
MW283.37 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid

(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 59972959) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID59972959
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H25NO4/c17-14(16-6-8-20-9-7-16)11-13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19)/t13-/m1/s1
InChIKeyHFMGKJUNLQOLDP-CYBMUJFWSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid (CID 59972959) is (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid is O=C(O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is HFMGKJUNLQOLDP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO4/c17-14(16-6-8-20-9-7-16)11-13(15(18)19)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 59972959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).