5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid

C10H15NO4 — CID 102696456

IUPAC5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
SMILESCOC(C)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-7(14-2)5-11-6-8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyLUQOUMFBERYBSG-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.10
Rot. Bonds6

About 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid

5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid (PubChem CID 102696456) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
PubChem CID102696456
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
SMILESCOC(C)CNCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO4/c1-7(14-2)5-11-6-8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyLUQOUMFBERYBSG-UHFFFAOYSA-N
XLogP1.10
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-2-carboxylic acid
CID 113409692
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
N-benzyl-2-methoxypropan-1-amine
CID 58887986
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-[(but-3-yn-2-ylamino)methyl]furan-2-carboxylic acid
CID 114414880
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid (CID 102696456) is 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid is COC(C)CNCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid?
The InChIKey is LUQOUMFBERYBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(14-2)5-11-6-8-3-4-9(15-8)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid?
5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 102696456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).