2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid

C18H30N2O6 — CID 91760585

IUPAC2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H30N2O6/c21-16(22)13-26-15-12-25-9-4-14(15)19-17(23)18(5-2-1-3-6-18)20-7-10-24-11-8-20/h14-15H,1-13H2,(H,19,23)(H,21,22)/t14-,15-/m1/s1
InChIKeyPLGQKFLUUATVBF-HUUCEWRRSA-N
MW370.45 g/mol
LogP0.40
Rot. Bonds6

About 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid

2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid (PubChem CID 91760585) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid
PubChem CID91760585
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1COCC[C@H]1NC(=O)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C18H30N2O6/c21-16(22)13-26-15-12-25-9-4-14(15)19-17(23)18(5-2-1-3-6-18)20-7-10-24-11-8-20/h14-15H,1-13H2,(H,19,23)(H,21,22)/t14-,15-/m1/s1
InChIKeyPLGQKFLUUATVBF-HUUCEWRRSA-N
XLogP0.40
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic 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

2-[(3S,4R)-4-[[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91771607
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
2-[(3S,4R)-4-[(3-amino-4-chloro-1H-pyrazole-5-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91772656
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
2-[(3S,4R)-4-[3-[methyl(methylsulfonyl)amino]propanoylamino]oxan-3-yl]oxyacetic acid
CID 91829712
2-[(3S,4R)-4-(1H-1,2,4-triazole-5-carbonylamino)oxan-3-yl]oxyacetic acid
CID 91795458
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
2-[(3S,4R)-4-[[2-(2-hydroxyethyl)pyrazole-3-carbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91784869
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
2-[(3S,4R)-4-[(2-propan-2-ylpyrimidine-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91784846
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid (CID 91760585) is 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid is O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid?
The InChIKey is PLGQKFLUUATVBF-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H30N2O6/c21-16(22)13-26-15-12-25-9-4-14(15)19-17(23)18(5-2-1-3-6-18)20-7-10-24-11-8-20/h14-15H,1-13H2,(H,19,23)(H,21,22)/t14-,15-/m1/s1.
What are the key properties of 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid?
2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid has a molecular weight of 370.45 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid is sourced from PubChem (CID 91760585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).