2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

C14H17NO4 — CID 63702713

IUPAC2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-3-15(9(2)16)13(14(17)18)11-4-5-12-10(8-11)6-7-19-12/h4-5,8,13H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyQCARVYNHWRERPY-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.62
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 63702713) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID63702713
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-3-15(9(2)16)13(14(17)18)11-4-5-12-10(8-11)6-7-19-12/h4-5,8,13H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyQCARVYNHWRERPY-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(methyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 116857496
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
CID 104926706
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377869
2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63701701

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 63702713) is 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is QCARVYNHWRERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-15(9(2)16)13(14(17)18)11-4-5-12-10(8-11)6-7-19-12/h4-5,8,13H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 63702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).