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

C12H20N2O4 — CID 11507137

IUPAC1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)12(4-2-1-3-5-12)13-11(17)14-6-8-18-9-7-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyINVKIWHUBGJRQT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.82
Rot. Bonds2

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

1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 11507137) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID11507137
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)12(4-2-1-3-5-12)13-11(17)14-6-8-18-9-7-14/h1-9H2,(H,13,17)(H,15,16)
InChIKeyINVKIWHUBGJRQT-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 24955383
(2S)-4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 57535356
4,4-Difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68821126
3-Fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 150077050
3-Fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 150152848
2-Fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 151816747
2-Fluoro-2-(morpholine-4-carbonylamino)heptanoic acid
CID 152251990
Fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 174517392
Fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 174517407
(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 134943303
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61492705
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 104598254

Frequently Asked Questions

What is the IUPAC name of 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 11507137) is 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)N1CCOCC1.
What is the InChIKey of 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is INVKIWHUBGJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(16)12(4-2-1-3-5-12)13-11(17)14-6-8-18-9-7-14/h1-9H2,(H,13,17)(H,15,16).
What are the key properties of 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 11507137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).