2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

C11H13NO3 — CID 68668209

IUPAC2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cc(N)ccc21
InChIInChI=1S/C11H13NO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5,12H2,1H3,(H,13,14)
InChIKeyDJTXYYBIEXVCRN-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.47
Rot. Bonds2

About 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (PubChem CID 68668209) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
PubChem CID68668209
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cc(N)ccc21
InChIInChI=1S/C11H13NO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5,12H2,1H3,(H,13,14)
InChIKeyDJTXYYBIEXVCRN-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913658
2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117200227
2-[(3S)-6-[(7-bromo-2,3-dihydro-1-benzofuran-3-yl)amino]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 67128913
3-methoxy-3,4-dihydro-2H-chromene-4,7-diamine
CID 130039862
6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
CID 163396140
2-[(3S)-6-[[(3R)-7-(2-aminoanilino)-2,3-dihydro-1-benzofuran-3-yl]-(2,2,2-trifluoroacetyl)amino]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 87280659
(3S)-3-amino-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55294350
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
2-[(3S)-6-[[3-[2,6-diethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 66621525
(2S)-2-[6-[[3-[2,6-dimethyl-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 135378512
methyl 2-(6-amino-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)acetate
CID 11118071

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The IUPAC name of 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (CID 68668209) is 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The canonical SMILES for 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is CC(C(=O)O)C1COc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The InChIKey is DJTXYYBIEXVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is sourced from PubChem (CID 68668209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).