2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid

C15H21NO4 — CID 120686844

IUPAC2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1cc(C(=O)NC2(CC(=O)O)CCC2)oc1CC
InChIInChI=1S/C15H21NO4/c1-3-10-8-12(20-11(10)4-2)14(19)16-15(6-5-7-15)9-13(17)18/h8H,3-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYZVYRSTXQGAGSO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 120686844) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID120686844
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1cc(C(=O)NC2(CC(=O)O)CCC2)oc1CC
InChIInChI=1S/C15H21NO4/c1-3-10-8-12(20-11(10)4-2)14(19)16-15(6-5-7-15)9-13(17)18/h8H,3-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYZVYRSTXQGAGSO-UHFFFAOYSA-N
XLogP2.53
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-[1-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 119217767
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
2-[1-[(7-bromo-5-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120521963
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 102810261
2-[1-[(2,4,5-trimethylfuran-3-carbonyl)amino]cyclopentyl]acetic acid
CID 64672770
2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79848221
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid (CID 120686844) is 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid is CCc1cc(C(=O)NC2(CC(=O)O)CCC2)oc1CC.
What is the InChIKey of 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is YZVYRSTXQGAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-10-8-12(20-11(10)4-2)14(19)16-15(6-5-7-15)9-13(17)18/h8H,3-7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120686844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).