5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid

C9H13NO4 — CID 83176620

IUPAC5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO4/c1-6(4-5-11)10-8-3-2-7(14-8)9(12)13/h2-3,6,10-11H,4-5H2,1H3,(H,12,13)
InChIKeyQGEQADYFFIKUKZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.16
Rot. Bonds5

About 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid

5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid (PubChem CID 83176620) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
PubChem CID83176620
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
SMILESCC(CCO)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C9H13NO4/c1-6(4-5-11)10-8-3-2-7(14-8)9(12)13/h2-3,6,10-11H,4-5H2,1H3,(H,12,13)
InChIKeyQGEQADYFFIKUKZ-UHFFFAOYSA-N
XLogP1.16
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
CID 106350355
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
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-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
CID 106177280
5-(1-hydroxypent-4-yn-2-ylamino)furan-2-carboxylic acid
CID 165485960
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid (CID 83176620) is 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid is CC(CCO)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid?
The InChIKey is QGEQADYFFIKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6(4-5-11)10-8-3-2-7(14-8)9(12)13/h2-3,6,10-11H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid?
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid is sourced from PubChem (CID 83176620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).