3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid

C11H16N2O3 — CID 83858771

IUPAC3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1onc2c1CN(C)CC2
InChIInChI=1S/C11H16N2O3/c1-7(5-10(14)15)11-8-6-13(2)4-3-9(8)12-16-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyUUOIMHONLUNTCQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.24
Rot. Bonds3

About 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid

3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid (PubChem CID 83858771) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid
PubChem CID83858771
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1onc2c1CN(C)CC2
InChIInChI=1S/C11H16N2O3/c1-7(5-10(14)15)11-8-6-13(2)4-3-9(8)12-16-11/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyUUOIMHONLUNTCQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.57 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)propan-1-amine
CID 83848740
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
5-methyl-3-methylsulfanyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 83871848
3-amino-3-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid
CID 84796972
2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 83824495
3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
CID 99983365
5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
CID 84678174
2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105499255
5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carbaldehyde
CID 83863028
3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 175025961
3-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)butanoic acid
CID 83858971
1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
CID 83859099

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid?
The IUPAC name of 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid (CID 83858771) is 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid?
The canonical SMILES for 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid is CC(CC(=O)O)c1onc2c1CN(C)CC2.
What is the InChIKey of 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid?
The InChIKey is UUOIMHONLUNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(5-10(14)15)11-8-6-13(2)4-3-9(8)12-16-11/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid?
3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 83858771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).