2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid

C13H18N2O5 — CID 61186721

IUPAC2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N2CCOC(C)C2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-8-7-15(3-4-19-8)13(18)14-6-10-5-11(12(16)17)9(2)20-10/h5,8H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyIOFCZCIJTYNTOZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 61186721) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
PubChem CID61186721
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)N2CCOC(C)C2)cc1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-8-7-15(3-4-19-8)13(18)14-6-10-5-11(12(16)17)9(2)20-10/h5,8H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyIOFCZCIJTYNTOZ-UHFFFAOYSA-N
XLogP1.22
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
5-[[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102783248
1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122264
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
(2S)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]morpholine-4-carboxamide
CID 95761707
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 47253703
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
CID 125148333
5-[[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid (CID 61186721) is 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)N2CCOC(C)C2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is IOFCZCIJTYNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-7-15(3-4-19-8)13(18)14-6-10-5-11(12(16)17)9(2)20-10/h5,8H,3-4,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 282.30 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 2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61186721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).