2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid

C11H16N2O3 — CID 83849966

IUPAC2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)nc2c1COCC2
InChIInChI=1S/C11H16N2O3/c1-7(2)13-9-6-16-4-3-8(9)12-10(13)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyBLAMOAHIHSFSLN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.16
Rot. Bonds3

About 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid

2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid (PubChem CID 83849966) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid
PubChem CID83849966
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)nc2c1COCC2
InChIInChI=1S/C11H16N2O3/c1-7(2)13-9-6-16-4-3-8(9)12-10(13)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyBLAMOAHIHSFSLN-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid?
The IUPAC name of 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid (CID 83849966) is 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid is CC(C)n1c(CC(=O)O)nc2c1COCC2.
What is the InChIKey of 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid?
The InChIKey is BLAMOAHIHSFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)13-9-6-16-4-3-8(9)12-10(13)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid?
2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-yl)acetic acid is sourced from PubChem (CID 83849966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).