4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C13H22N2O5 — CID 81204653

IUPAC4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOC(CO)C2)CC1
InChIInChI=1S/C13H22N2O5/c16-8-11-7-15(5-6-20-11)13(19)14-10-3-1-9(2-4-10)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18)
InChIKeyRGSYUTXZPYRIGO-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.03
Rot. Bonds3

About 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 81204653) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID81204653
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCOC(CO)C2)CC1
InChIInChI=1S/C13H22N2O5/c16-8-11-7-15(5-6-20-11)13(19)14-10-3-1-9(2-4-10)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18)
InChIKeyRGSYUTXZPYRIGO-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 81204434
4-[(2-thiophen-2-ylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024352
4-[[3-(oxan-4-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023608
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
4-[[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023992
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 81204653) is 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCOC(CO)C2)CC1.
What is the InChIKey of 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RGSYUTXZPYRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-8-11-7-15(5-6-20-11)13(19)14-10-3-1-9(2-4-10)12(17)18/h9-11,16H,1-8H2,(H,14,19)(H,17,18).
What are the key properties of 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81204653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).