2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid

C15H17NO4 — CID 98033683

IUPAC2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid
SMILESCn1cc(C(C)(C)C(=O)O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H17NO4/c1-15(2,14(17)18)10-8-16(3)11-7-13-12(6-9(10)11)19-4-5-20-13/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyRXBGIWKCVCSNPL-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid

2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid (PubChem CID 98033683) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid
PubChem CID98033683
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid
SMILESCn1cc(C(C)(C)C(=O)O)c2cc3c(cc21)OCCO3
InChIInChI=1S/C15H17NO4/c1-15(2,14(17)18)10-8-16(3)11-7-13-12(6-9(10)11)19-4-5-20-13/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyRXBGIWKCVCSNPL-UHFFFAOYSA-N
XLogP2.31
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid (CID 98033683) is 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid is Cn1cc(C(C)(C)C(=O)O)c2cc3c(cc21)OCCO3.
What is the InChIKey of 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid?
The InChIKey is RXBGIWKCVCSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(2,14(17)18)10-8-16(3)11-7-13-12(6-9(10)11)19-4-5-20-13/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid?
2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propanoic acid is sourced from PubChem (CID 98033683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).