2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO4 — CID 3114563

IUPAC2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyLTXOMALEWAFTIQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds2

About 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 3114563) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID3114563
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyLTXOMALEWAFTIQ-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (CID 3114563) is 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is LTXOMALEWAFTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3114563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).