2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid

C15H19NO4 — CID 119200149

IUPAC2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1ccc2c(c1)CCO2)C(C)(C)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(2,14(18)19)16(3)13(17)9-10-4-5-12-11(8-10)6-7-20-12/h4-5,8H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyUXMCRENQLMPMPY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds4

About 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200149) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200149
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)Cc1ccc2c(c1)CCO2)C(C)(C)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(2,14(18)19)16(3)13(17)9-10-4-5-12-11(8-10)6-7-20-12/h4-5,8H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyUXMCRENQLMPMPY-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199119
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]cyclobutane-1-carboxylic acid
CID 136583552
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 55123970
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 119200149) is 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)Cc1ccc2c(c1)CCO2)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is UXMCRENQLMPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,14(18)19)16(3)13(17)9-10-4-5-12-11(8-10)6-7-20-12/h4-5,8H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).