cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 98549374

IUPACcis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-2-12-9-19-7-6-15(12)13(16)10-4-3-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11+,12-/m1/s1
InChIKeyRLZCNTIKYNQYAI-GRYCIOLGSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds3

About cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 98549374) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID98549374
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESCC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-2-12-9-19-7-6-15(12)13(16)10-4-3-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11+,12-/m1/s1
InChIKeyRLZCNTIKYNQYAI-GRYCIOLGSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]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

[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714102
2-(2-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 62782698
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
cyclohexyl 3-ethylmorpholine-4-carboxylate
CID 70843806
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 98549374) is cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is RLZCNTIKYNQYAI-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-12-9-19-7-6-15(12)13(16)10-4-3-5-11(8-10)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t10-,11+,12-/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 98549374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).