(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid

C14H24N2O4 — CID 118273223

IUPAC(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid
SMILESCC[C@@H]1CO[C@H](C(=O)NC2CCCCC2)CN1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-11-9-20-12(8-16(11)14(18)19)13(17)15-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyFNOGZMAIHSVOIP-NEPJUHHUSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds3

About (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid

(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid (PubChem CID 118273223) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid
PubChem CID118273223
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid
SMILESCC[C@@H]1CO[C@H](C(=O)NC2CCCCC2)CN1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-2-11-9-20-12(8-16(11)14(18)19)13(17)15-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m1/s1
InChIKeyFNOGZMAIHSVOIP-NEPJUHHUSA-N
XLogP1.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid?
The IUPAC name of (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid (CID 118273223) is (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid.
What is the SMILES notation for (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid?
The canonical SMILES for (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid is CC[C@@H]1CO[C@H](C(=O)NC2CCCCC2)CN1C(=O)O.
What is the InChIKey of (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid?
The InChIKey is FNOGZMAIHSVOIP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-11-9-20-12(8-16(11)14(18)19)13(17)15-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid?
(2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(cyclohexylcarbamoyl)-5-ethylmorpholine-4-carboxylic acid is sourced from PubChem (CID 118273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).