5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid

C15H21NO3 — CID 63019902

IUPAC5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H21NO3/c1-15(2,7-14(17)18)6-13(16)10-3-4-11-8-19-9-12(11)5-10/h3-5,13H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyAHTUAIVACWUUTQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds5

About 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid

5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid (PubChem CID 63019902) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
PubChem CID63019902
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H21NO3/c1-15(2,7-14(17)18)6-13(16)10-3-4-11-8-19-9-12(11)5-10/h3-5,13H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyAHTUAIVACWUUTQ-UHFFFAOYSA-N
XLogP2.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid?
The IUPAC name of 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid (CID 63019902) is 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid is CC(C)(CC(=O)O)CC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid?
The InChIKey is AHTUAIVACWUUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,7-14(17)18)6-13(16)10-3-4-11-8-19-9-12(11)5-10/h3-5,13H,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid?
5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid is sourced from PubChem (CID 63019902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).