3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid

C11H17NO5 — CID 106162250

IUPAC3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid
SMILESCOCC(CCO)NCc1ccoc1C(=O)O
InChIInChI=1S/C11H17NO5/c1-16-7-9(2-4-13)12-6-8-3-5-17-10(8)11(14)15/h3,5,9,12-13H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyZMCZMBKJXMSQOW-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.46
Rot. Bonds8

About 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid

3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid (PubChem CID 106162250) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid
PubChem CID106162250
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid
SMILESCOCC(CCO)NCc1ccoc1C(=O)O
InChIInChI=1S/C11H17NO5/c1-16-7-9(2-4-13)12-6-8-3-5-17-10(8)11(14)15/h3,5,9,12-13H,2,4,6-7H2,1H3,(H,14,15)
InChIKeyZMCZMBKJXMSQOW-UHFFFAOYSA-N
XLogP0.46
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
CID 103923151
3-[(1-hydroxypropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103238278
5-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 106162230
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
3-bromo-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzoic acid
CID 114152128
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
3-[(3-methylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103230406
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049
3-[(3,3-dimethylbutan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103265230
3-[(2-methylpentan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103244149
3-[(but-3-en-2-ylamino)methyl]furan-2-carboxylic acid
CID 103264913
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzene-1,2-diol
CID 113357879

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid (CID 106162250) is 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid is COCC(CCO)NCc1ccoc1C(=O)O.
What is the InChIKey of 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is ZMCZMBKJXMSQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-16-7-9(2-4-13)12-6-8-3-5-17-10(8)11(14)15/h3,5,9,12-13H,2,4,6-7H2,1H3,(H,14,15).
What are the key properties of 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid?
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106162250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).