2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid

C11H10ClNO4 — CID 117392007

IUPAC2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(Cl)c2ccoc12
InChIInChI=1S/C11H10ClNO4/c1-16-7-4-6(9(13)11(14)15)8(12)5-2-3-17-10(5)7/h2-4,9H,13H2,1H3,(H,14,15)
InChIKeyTWMKPLRINPTSRN-UHFFFAOYSA-N
MW255.66 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid

2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid (PubChem CID 117392007) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
PubChem CID117392007
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)c(Cl)c2ccoc12
InChIInChI=1S/C11H10ClNO4/c1-16-7-4-6(9(13)11(14)15)8(12)5-2-3-17-10(5)7/h2-4,9H,13H2,1H3,(H,14,15)
InChIKeyTWMKPLRINPTSRN-UHFFFAOYSA-N
XLogP2.18
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
CID 117351723
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
CID 117428275
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 117420629
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
CID 117354020
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid (CID 117392007) is 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid is COc1cc(C(N)C(=O)O)c(Cl)c2ccoc12.
What is the InChIKey of 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid?
The InChIKey is TWMKPLRINPTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c1-16-7-4-6(9(13)11(14)15)8(12)5-2-3-17-10(5)7/h2-4,9H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid?
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid has a molecular weight of 255.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 117392007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).