2-acetamido-2-(1-benzofuran-5-yl)acetic acid

C12H11NO4 — CID 20531252

IUPAC2-acetamido-2-(1-benzofuran-5-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc2occc2c1
InChIInChI=1S/C12H11NO4/c1-7(14)13-11(12(15)16)9-2-3-10-8(6-9)4-5-17-10/h2-6,11H,1H3,(H,13,14)(H,15,16)
InChIKeyZBORIHCTWMMFSR-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.69
Rot. Bonds3

About 2-acetamido-2-(1-benzofuran-5-yl)acetic acid

2-acetamido-2-(1-benzofuran-5-yl)acetic acid (PubChem CID 20531252) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-acetamido-2-(1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(1-benzofuran-5-yl)acetic acid
PubChem CID20531252
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-acetamido-2-(1-benzofuran-5-yl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc2occc2c1
InChIInChI=1S/C12H11NO4/c1-7(14)13-11(12(15)16)9-2-3-10-8(6-9)4-5-17-10/h2-6,11H,1H3,(H,13,14)(H,15,16)
InChIKeyZBORIHCTWMMFSR-UHFFFAOYSA-N
XLogP1.69
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-5-yl)-2-hydroxyacetic acid
CID 82403049
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
CID 14037276
1-(1-benzofuran-5-yl)butylurea
CID 19934315
(2S)-2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 96586653
2-acetamido-2-(3,5-dimethylphenyl)acetic acid
CID 63702397
(2S)-2-(1-benzofuran-5-carbonylamino)-3-methylbutanedioic acid
CID 68712616
5-(dimethoxymethyl)-1-benzofuran
CID 11816358
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601
(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63702399
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
CID 14212860

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-acetamido-2-(1-benzofuran-5-yl)acetic acid (CID 20531252) is 2-acetamido-2-(1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-acetamido-2-(1-benzofuran-5-yl)acetic acid is CC(=O)NC(C(=O)O)c1ccc2occc2c1.
What is the InChIKey of 2-acetamido-2-(1-benzofuran-5-yl)acetic acid?
The InChIKey is ZBORIHCTWMMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7(14)13-11(12(15)16)9-2-3-10-8(6-9)4-5-17-10/h2-6,11H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamido-2-(1-benzofuran-5-yl)acetic acid?
2-acetamido-2-(1-benzofuran-5-yl)acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 20531252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).