5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid

C11H17NO4 — CID 106350355

IUPAC5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
SMILESCC(C)C(CCO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO4/c1-7(2)8(5-6-13)12-10-4-3-9(16-10)11(14)15/h3-4,7-8,12-13H,5-6H2,1-2H3,(H,14,15)
InChIKeyAXNZIMPVUCMXCZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.80
Rot. Bonds6

About 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid

5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid (PubChem CID 106350355) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
PubChem CID106350355
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
SMILESCC(C)C(CCO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO4/c1-7(2)8(5-6-13)12-10-4-3-9(16-10)11(14)15/h3-4,7-8,12-13H,5-6H2,1-2H3,(H,14,15)
InChIKeyAXNZIMPVUCMXCZ-UHFFFAOYSA-N
XLogP1.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 106350966
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
CID 62205149
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid (CID 106350355) is 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid is CC(C)C(CCO)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid?
The InChIKey is AXNZIMPVUCMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(2)8(5-6-13)12-10-4-3-9(16-10)11(14)15/h3-4,7-8,12-13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid?
5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 106350355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).