2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid

C14H15N3O4 — CID 79372237

IUPAC2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1noc2ncc(C(=O)N3CCC(C(=O)O)C3C)cc12
InChIInChI=1S/C14H15N3O4/c1-7-11-5-9(6-15-12(11)21-16-7)13(18)17-4-3-10(8(17)2)14(19)20/h5-6,8,10H,3-4H2,1-2H3,(H,19,20)
InChIKeyODCZWPZRKSNLLM-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.47
Rot. Bonds2

About 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79372237) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79372237
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1noc2ncc(C(=O)N3CCC(C(=O)O)C3C)cc12
InChIInChI=1S/C14H15N3O4/c1-7-11-5-9(6-15-12(11)21-16-7)13(18)17-4-3-10(8(17)2)14(19)20/h5-6,8,10H,3-4H2,1-2H3,(H,19,20)
InChIKeyODCZWPZRKSNLLM-UHFFFAOYSA-N
XLogP1.47
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 79372237) is 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid is Cc1noc2ncc(C(=O)N3CCC(C(=O)O)C3C)cc12.
What is the InChIKey of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ODCZWPZRKSNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-7-11-5-9(6-15-12(11)21-16-7)13(18)17-4-3-10(8(17)2)14(19)20/h5-6,8,10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).