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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-1H,4H,6H,7H-pyrano(3,4-d)imidazol-2-amine hydrochloride
CID 137963944
ethyl 2-{3-bromo-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl}acetate
CID 165656610
1-Propyl-1H,4H,6H,7H-pyrano[3,4-d]imidazol-2-amine
CID 131135114
Ethyl 2-ethyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-carboxylate
CID 124170836
methyl 2-ethyl-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate
CID 124180511
3-Methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 155021831
2,3-dimethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazole;ethane
CID 168167629
2,3-dimethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazole
CID 168167630
Ethyl 2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176613991
ethyl (6S)-2-ethyl-6-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176613994
ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176613999
ethyl (7R)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 176614002

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).