2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid

C9H9NO3 — CID 143813731

IUPAC2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESNC1Cc2c(cccc2C(=O)O)O1
InChIInChI=1S/C9H9NO3/c10-8-4-6-5(9(11)12)2-1-3-7(6)13-8/h1-3,8H,4,10H2,(H,11,12)
InChIKeyPNKQHSLXDNIXNI-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.60
Rot. Bonds1

About 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid

2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid (PubChem CID 143813731) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid
PubChem CID143813731
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESNC1Cc2c(cccc2C(=O)O)O1
InChIInChI=1S/C9H9NO3/c10-8-4-6-5(9(11)12)2-1-3-7(6)13-8/h1-3,8H,4,10H2,(H,11,12)
InChIKeyPNKQHSLXDNIXNI-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The IUPAC name of 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid (CID 143813731) is 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid is NC1Cc2c(cccc2C(=O)O)O1.
What is the InChIKey of 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The InChIKey is PNKQHSLXDNIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-8-4-6-5(9(11)12)2-1-3-7(6)13-8/h1-3,8H,4,10H2,(H,11,12).
What are the key properties of 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid?
2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 143813731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).