4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H26N2O5 — CID 122023964

IUPAC4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOCC2C2CCCO2)CC1
InChIInChI=1S/C16H26N2O5/c19-15(20)11-3-5-12(6-4-11)17-16(21)18-7-9-22-10-13(18)14-2-1-8-23-14/h11-14H,1-10H2,(H,17,21)(H,19,20)
InChIKeyJQLXMJLICZSXTF-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.22
Rot. Bonds3

About 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023964) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023964
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOCC2C2CCCO2)CC1
InChIInChI=1S/C16H26N2O5/c19-15(20)11-3-5-12(6-4-11)17-16(21)18-7-9-22-10-13(18)14-2-1-8-23-14/h11-14H,1-10H2,(H,17,21)(H,19,20)
InChIKeyJQLXMJLICZSXTF-UHFFFAOYSA-N
XLogP1.22
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024519
2-[ethyl-[3-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025877
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428
4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024034
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 64815380
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
4-[[(4aR,7aS)-6-methyl-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023987

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023964) is 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCOCC2C2CCCO2)CC1.
What is the InChIKey of 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JQLXMJLICZSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-15(20)11-3-5-12(6-4-11)17-16(21)18-7-9-22-10-13(18)14-2-1-8-23-14/h11-14H,1-10H2,(H,17,21)(H,19,20).
What are the key properties of 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).