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

C11H17NO3 — CID 62204950

IUPAC5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
SMILESCC(C)CC(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-7(2)6-8(3)12-10-5-4-9(15-10)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)
InChIKeyPNOVAYBGOSEXSB-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.82
Rot. Bonds5

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

5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid (PubChem CID 62204950) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
PubChem CID62204950
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
SMILESCC(C)CC(C)Nc1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-7(2)6-8(3)12-10-5-4-9(15-10)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14)
InChIKeyPNOVAYBGOSEXSB-UHFFFAOYSA-N
XLogP2.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[1-(4-fluorophenyl)propan-2-ylamino]furan-2-carboxylic acid
CID 63008488
5-(1-ethoxypropan-2-ylamino)furan-2-carboxylic acid
CID 62205149
5-(octan-2-ylamino)furan-2-carboxylic acid
CID 62206373
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]furan-2-carboxylic acid
CID 62205327
5-[(1-hydroxy-4-methylpentan-3-yl)amino]furan-2-carboxylic acid
CID 106350355
5-(1-cyclopropylethylamino)furan-2-carboxylic acid
CID 62205847
5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
CID 62205994
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
5-(1-thiophen-3-ylethylamino)furan-2-carboxylic acid
CID 62844765
5-(dicyclopropylmethylamino)furan-2-carboxylic acid
CID 62206725

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid (CID 62204950) is 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid is CC(C)CC(C)Nc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid?
The InChIKey is PNOVAYBGOSEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)6-8(3)12-10-5-4-9(15-10)11(13)14/h4-5,7-8,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid?
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62204950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).