2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid

C16H17NO4 — CID 81165190

IUPAC2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2coc3ccccc23)CCC1
InChIInChI=1S/C16H17NO4/c18-14(19)8-16(6-3-7-16)10-17-15(20)12-9-21-13-5-2-1-4-11(12)13/h1-2,4-5,9H,3,6-8,10H2,(H,17,20)(H,18,19)
InChIKeyFEMBKOKCNFQWAD-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81165190) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81165190
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2coc3ccccc23)CCC1
InChIInChI=1S/C16H17NO4/c18-14(19)8-16(6-3-7-16)10-17-15(20)12-9-21-13-5-2-1-4-11(12)13/h1-2,4-5,9H,3,6-8,10H2,(H,17,20)(H,18,19)
InChIKeyFEMBKOKCNFQWAD-UHFFFAOYSA-N
XLogP2.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 115496519
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2-[1-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81164962
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid (CID 81165190) is 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)c2coc3ccccc23)CCC1.
What is the InChIKey of 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is FEMBKOKCNFQWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-14(19)8-16(6-3-7-16)10-17-15(20)12-9-21-13-5-2-1-4-11(12)13/h1-2,4-5,9H,3,6-8,10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).