2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid

C14H20N2O6S — CID 119223538

IUPAC2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)O
InChIInChI=1S/C14H20N2O6S/c1-3-10(14(18)19)15-13(17)11-8-12(9(2)22-11)23(20,21)16-6-4-5-7-16/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNRIIGQLVTGIEIA-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.97
Rot. Bonds6

About 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid

2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid (PubChem CID 119223538) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
PubChem CID119223538
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)O
InChIInChI=1S/C14H20N2O6S/c1-3-10(14(18)19)15-13(17)11-8-12(9(2)22-11)23(20,21)16-6-4-5-7-16/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNRIIGQLVTGIEIA-UHFFFAOYSA-N
XLogP0.97
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 119372503
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55757418
2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955734
5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid (CID 119223538) is 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid?
The InChIKey is NRIIGQLVTGIEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-3-10(14(18)19)15-13(17)11-8-12(9(2)22-11)23(20,21)16-6-4-5-7-16/h8,10H,3-7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid?
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid has a molecular weight of 344.39 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119223538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).