3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 55146160

IUPAC3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-2-1-3-10(8-9)13-12(17)14-4-6-18-7-5-14/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeySRTCCNFNWNMFJF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds2

About 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 55146160) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID55146160
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)N2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-2-1-3-10(8-9)13-12(17)14-4-6-18-7-5-14/h9-10H,1-8H2,(H,13,17)(H,15,16)
InChIKeySRTCCNFNWNMFJF-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 55146160) is 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NC(=O)N2CCOCC2)C1.
What is the InChIKey of 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SRTCCNFNWNMFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-2-1-3-10(8-9)13-12(17)14-4-6-18-7-5-14/h9-10H,1-8H2,(H,13,17)(H,15,16).
What are the key properties of 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).