cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO4 — CID 750946

IUPACcis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(=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)/t9-,10+/m0/s1
InChIKeyLTXOMALEWAFTIQ-VHSXEESVSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds2

About cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 750946) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID750946
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namecis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(=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)/t9-,10+/m0/s1
InChIKeyLTXOMALEWAFTIQ-VHSXEESVSA-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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Related Compounds

Morpholine, 4-((2-oxo-1-oxaspiro(4.5)dec-4-yl)carbonyl)-
CID 2836717
2-{[(3-Morpholin-4-ylpropyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2931320
1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 2474331
2-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic Acid
CID 2838248
Cis-2-(Carboxymethyl-propyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375287
Cis-2-(Carboxymethyl-ethyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375302
Cis-2-(Carboxymethyl-methyl-carbamoyl)-cyclohexanecarboxylic acid
CID 44375328
4-(4-Cyclohexyl-4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 172433382
2-[(3-Methylpiperidyl)carbonyl]cyclohexanecarboxylic acid
CID 4196302
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60951824
cis-(1S,2R)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 105636319
2-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107478954

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (CID 750946) is cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is LTXOMALEWAFTIQ-VHSXEESVSA-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)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-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 cis-(1R,2S)-2-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 750946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).