2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid

C16H24N2O6S — CID 119954814

IUPAC2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C16H24N2O6S/c1-4-11(2)18(10-15(19)20)16(21)13-9-14(12(3)24-13)25(22,23)17-7-5-6-8-17/h9,11H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyDVTVZKKLVGOGQF-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.70
Rot. Bonds7

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

2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid (PubChem CID 119954814) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
PubChem CID119954814
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C16H24N2O6S/c1-4-11(2)18(10-15(19)20)16(21)13-9-14(12(3)24-13)25(22,23)17-7-5-6-8-17/h9,11H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyDVTVZKKLVGOGQF-UHFFFAOYSA-N
XLogP1.70
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
2-[(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]butanoic acid
CID 119223538
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-butan-2-ylamino]acetic acid
CID 119954664
N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 60560153
N-butan-2-yl-N-ethyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387385
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
5-methyl-4-thiomorpholin-4-ylsulfonylfuran-2-carboxylic acid
CID 62803789
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
5-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 49394055
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid (CID 119954814) is 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1.
What is the InChIKey of 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The InChIKey is DVTVZKKLVGOGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-4-11(2)18(10-15(19)20)16(21)13-9-14(12(3)24-13)25(22,23)17-7-5-6-8-17/h9,11H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid has a molecular weight of 372.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119954814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).