2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid

C10H9NO4 — CID 112545979

IUPAC2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1oc2ccccc2c1O
InChIInChI=1S/C10H9NO4/c11-7(10(13)14)9-8(12)5-3-1-2-4-6(5)15-9/h1-4,7,12H,11H2,(H,13,14)
InChIKeyNZVYTXDLQYCRBF-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid

2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid (PubChem CID 112545979) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid
PubChem CID112545979
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid
SMILESNC(C(=O)O)c1oc2ccccc2c1O
InChIInChI=1S/C10H9NO4/c11-7(10(13)14)9-8(12)5-3-1-2-4-6(5)15-9/h1-4,7,12H,11H2,(H,13,14)
InChIKeyNZVYTXDLQYCRBF-UHFFFAOYSA-N
XLogP1.22
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid (CID 112545979) is 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid is NC(C(=O)O)c1oc2ccccc2c1O.
What is the InChIKey of 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid?
The InChIKey is NZVYTXDLQYCRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c11-7(10(13)14)9-8(12)5-3-1-2-4-6(5)15-9/h1-4,7,12H,11H2,(H,13,14).
What are the key properties of 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid?
2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid has a molecular weight of 207.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid is sourced from PubChem (CID 112545979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).