5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid

C12H17NO5 — CID 81462245

IUPAC5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-12(2,3)18-10(14)7-13-6-8-4-5-9(17-8)11(15)16/h4-5,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyLPTCILBKOZBURY-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.41
Rot. Bonds5

About 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 81462245) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
PubChem CID81462245
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO5/c1-12(2,3)18-10(14)7-13-6-8-4-5-9(17-8)11(15)16/h4-5,13H,6-7H2,1-3H3,(H,15,16)
InChIKeyLPTCILBKOZBURY-UHFFFAOYSA-N
XLogP1.41
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
CID 112731385
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]furan-2-carboxylic acid
CID 106143516
5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317709
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942948
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid (CID 81462245) is 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid is CC(C)(C)OC(=O)CNCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is LPTCILBKOZBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-12(2,3)18-10(14)7-13-6-8-4-5-9(17-8)11(15)16/h4-5,13H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 81462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).