4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid

C13H22N2O5 — CID 63706904

IUPAC4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCN(CC1CCOCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-14(8-10-2-5-19-6-3-10)13(18)15-4-7-20-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyWBVSFSAAXZPFKD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.25
Rot. Bonds3

About 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid

4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 63706904) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID63706904
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCN(CC1CCOCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-14(8-10-2-5-19-6-3-10)13(18)15-4-7-20-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyWBVSFSAAXZPFKD-UHFFFAOYSA-N
XLogP0.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-propan-2-yloxyethyl)carbamoyl]morpholine-2-carboxylic acid
CID 81061396
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
2-methyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744317
4-acetylmorpholine-2-carboxylic acid
CID 20598078
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
4-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]morpholine-2-carboxylic acid
CID 62890255
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
2-ethyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83064847
(2S)-4-[(2S)-2-(cyclopropylmethoxy)propanoyl]morpholine-2-carboxylic acid
CID 125152151

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid (CID 63706904) is 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid is CN(CC1CCOCC1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is WBVSFSAAXZPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-14(8-10-2-5-19-6-3-10)13(18)15-4-7-20-11(9-15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid?
4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-ylmethyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 63706904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).