5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid

C11H17NO3 — CID 62206897

IUPAC5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)C(C)N(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-7(2)8(3)12(4)10-6-5-9(15-10)11(13)14/h5-8H,1-4H3,(H,13,14)
InChIKeyGBMVKJZDCRACHJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.46
Rot. Bonds4

About 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid

5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid (PubChem CID 62206897) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid
PubChem CID62206897
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid
SMILESCC(C)C(C)N(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H17NO3/c1-7(2)8(3)12(4)10-6-5-9(15-10)11(13)14/h5-8H,1-4H3,(H,13,14)
InChIKeyGBMVKJZDCRACHJ-UHFFFAOYSA-N
XLogP2.46
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901
5-[2-methylpropyl(propan-2-yl)amino]furan-2-carboxylic acid
CID 62205507
5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid
CID 63700572
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]furan-2-carboxylic acid
CID 55050135
1-[5-[1-cyclopropylethyl(methyl)amino]furan-2-yl]ethanone
CID 104651567
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-(1-propan-2-ylsulfanylethyl)furan-2-carboxylic acid
CID 79084607
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
CID 62514826
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
CID 102907539
5-[butyl(ethyl)amino]furan-2-carboxylic acid
CID 62205838
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
CID 170903953

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid (CID 62206897) is 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid is CC(C)C(C)N(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid?
The InChIKey is GBMVKJZDCRACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)8(3)12(4)10-6-5-9(15-10)11(13)14/h5-8H,1-4H3,(H,13,14).
What are the key properties of 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid?
5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(3-methylbutan-2-yl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 62206897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).