4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid

C16H19NO4 — CID 43092357

IUPAC4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
SMILESCc1ccc2c(CC(=O)N(C)CCCC(=O)O)coc2c1
InChIInChI=1S/C16H19NO4/c1-11-5-6-13-12(10-21-14(13)8-11)9-15(18)17(2)7-3-4-16(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyRZHUTVHAPHJWAV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.61
Rot. Bonds6

About 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid

4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid (PubChem CID 43092357) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
PubChem CID43092357
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
SMILESCc1ccc2c(CC(=O)N(C)CCCC(=O)O)coc2c1
InChIInChI=1S/C16H19NO4/c1-11-5-6-13-12(10-21-14(13)8-11)9-15(18)17(2)7-3-4-16(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,19,20)
InChIKeyRZHUTVHAPHJWAV-UHFFFAOYSA-N
XLogP2.61
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 119071114
2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 60826703
2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79262570
2-[ethoxycarbonyl(methyl)amino]ethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86937869
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 46399107
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid
CID 110836962
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26980149
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
4-[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240383
N,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid (CID 43092357) is 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid is Cc1ccc2c(CC(=O)N(C)CCCC(=O)O)coc2c1.
What is the InChIKey of 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid?
The InChIKey is RZHUTVHAPHJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-5-6-13-12(10-21-14(13)8-11)9-15(18)17(2)7-3-4-16(19)20/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43092357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).