2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid

C16H17NO4 — CID 60826703

IUPAC2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESCc1ccc2c(CC(=O)N(CC(=O)O)C3CC3)coc2c1
InChIInChI=1S/C16H17NO4/c1-10-2-5-13-11(9-21-14(13)6-10)7-15(18)17(8-16(19)20)12-3-4-12/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,19,20)
InChIKeyQPHXPSPRAZPZCI-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.36
Rot. Bonds5

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

2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid (PubChem CID 60826703) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
PubChem CID60826703
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESCc1ccc2c(CC(=O)N(CC(=O)O)C3CC3)coc2c1
InChIInChI=1S/C16H17NO4/c1-10-2-5-13-11(9-21-14(13)6-10)7-15(18)17(8-16(19)20)12-3-4-12/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,19,20)
InChIKeyQPHXPSPRAZPZCI-UHFFFAOYSA-N
XLogP2.36
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79262570
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
CID 43092357
N-[(4-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 40870830
2-[[2-(6-methyl-1H-indol-3-yl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 136515838
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7715297
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 18872342
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525175

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid (CID 60826703) is 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid is Cc1ccc2c(CC(=O)N(CC(=O)O)C3CC3)coc2c1.
What is the InChIKey of 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The InChIKey is QPHXPSPRAZPZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-2-5-13-11(9-21-14(13)6-10)7-15(18)17(8-16(19)20)12-3-4-12/h2,5-6,9,12H,3-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60826703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).