2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid

C18H21NO4 — CID 119218085

IUPAC2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc2c(CC(=O)NC3(CC(=O)O)CCC3)coc2c1C
InChIInChI=1S/C18H21NO4/c1-11-4-5-14-13(10-23-17(14)12(11)2)8-15(20)19-18(6-3-7-18)9-16(21)22/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQRWNLDWTYGRGOW-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 119218085) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID119218085
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc2c(CC(=O)NC3(CC(=O)O)CCC3)coc2c1C
InChIInChI=1S/C18H21NO4/c1-11-4-5-14-13(10-23-17(14)12(11)2)8-15(20)19-18(6-3-7-18)9-16(21)22/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQRWNLDWTYGRGOW-UHFFFAOYSA-N
XLogP3.11
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119567157
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
ethyl 1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclohexane-1-carboxylate
CID 55767868
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120888254
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid (CID 119218085) is 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid is Cc1ccc2c(CC(=O)NC3(CC(=O)O)CCC3)coc2c1C.
What is the InChIKey of 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is QRWNLDWTYGRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-4-5-14-13(10-23-17(14)12(11)2)8-15(20)19-18(6-3-7-18)9-16(21)22/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).