2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid

C15H21NO3 — CID 82624519

IUPAC2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
SMILESCCN(CC)c1ccc2c(c1)OCC(CC(=O)O)C2
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)13-6-5-12-7-11(8-15(17)18)10-19-14(12)9-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXVDWGCZORSAYLZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds5

About 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid

2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid (PubChem CID 82624519) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
PubChem CID82624519
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
SMILESCCN(CC)c1ccc2c(c1)OCC(CC(=O)O)C2
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)13-6-5-12-7-11(8-15(17)18)10-19-14(12)9-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXVDWGCZORSAYLZ-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The IUPAC name of 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid (CID 82624519) is 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid.
What is the SMILES notation for 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The canonical SMILES for 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid is CCN(CC)c1ccc2c(c1)OCC(CC(=O)O)C2.
What is the InChIKey of 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid?
The InChIKey is XVDWGCZORSAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(4-2)13-6-5-12-7-11(8-15(17)18)10-19-14(12)9-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid?
2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid is sourced from PubChem (CID 82624519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).