5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid

C14H21NO3 — CID 103259950

IUPAC5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN[C@@H](C)C2CCCC2)oc1C(=O)O
InChIInChI=1S/C14H21NO3/c1-9-7-12(18-13(9)14(16)17)8-15-10(2)11-5-3-4-6-11/h7,10-11,15H,3-6,8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyWCUCYFAWEUELJC-JTQLQIEISA-N
MW251.33 g/mol
LogP2.95
Rot. Bonds5

About 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid

5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103259950) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103259950
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN[C@@H](C)C2CCCC2)oc1C(=O)O
InChIInChI=1S/C14H21NO3/c1-9-7-12(18-13(9)14(16)17)8-15-10(2)11-5-3-4-6-11/h7,10-11,15H,3-6,8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyWCUCYFAWEUELJC-JTQLQIEISA-N
XLogP2.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
3-methyl-5-[[(2-methylcyclohexyl)methylamino]methyl]furan-2-carboxylic acid
CID 103243474
3-methyl-5-[(oxetan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103256862
5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 114178848
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364
5-[[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103268721
3-methyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103263537

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid (CID 103259950) is 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN[C@@H](C)C2CCCC2)oc1C(=O)O.
What is the InChIKey of 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is WCUCYFAWEUELJC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-7-12(18-13(9)14(16)17)8-15-10(2)11-5-3-4-6-11/h7,10-11,15H,3-6,8H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103259950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).