2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid

C14H19NO4S — CID 81164337

IUPAC2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCSCc1ccc(C(=O)NCC2(CC(=O)O)CCC2)o1
InChIInChI=1S/C14H19NO4S/c1-20-8-10-3-4-11(19-10)13(18)15-9-14(5-2-6-14)7-12(16)17/h3-4H,2,5-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVEIIGDZKJTZWPF-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.52
Rot. Bonds7

About 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81164337) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81164337
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
SMILESCSCc1ccc(C(=O)NCC2(CC(=O)O)CCC2)o1
InChIInChI=1S/C14H19NO4S/c1-20-8-10-3-4-11(19-10)13(18)15-9-14(5-2-6-14)7-12(16)17/h3-4H,2,5-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVEIIGDZKJTZWPF-UHFFFAOYSA-N
XLogP2.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 122559983
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
4,4-dimethyl-6-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]hexanoic acid
CID 65283970
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
2-[1-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81164962
5-methyl-3-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]hexanoic acid
CID 65494955
[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]cyclobutyl]methanol
CID 115733353
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-ethylfuran-2-carboxamide
CID 47031293

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid (CID 81164337) is 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid is CSCc1ccc(C(=O)NCC2(CC(=O)O)CCC2)o1.
What is the InChIKey of 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is VEIIGDZKJTZWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-20-8-10-3-4-11(19-10)13(18)15-9-14(5-2-6-14)7-12(16)17/h3-4H,2,5-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).