2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid

C10H13NO3 — CID 83484569

IUPAC2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid
SMILESCc1cc2c(o1)CNCC2CC(=O)O
InChIInChI=1S/C10H13NO3/c1-6-2-8-7(3-10(12)13)4-11-5-9(8)14-6/h2,7,11H,3-5H2,1H3,(H,12,13)
InChIKeyCENDPIDQDCQGRY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.25
Rot. Bonds2

About 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid

2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid (PubChem CID 83484569) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid
PubChem CID83484569
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid
SMILESCc1cc2c(o1)CNCC2CC(=O)O
InChIInChI=1S/C10H13NO3/c1-6-2-8-7(3-10(12)13)4-11-5-9(8)14-6/h2,7,11H,3-5H2,1H3,(H,12,13)
InChIKeyCENDPIDQDCQGRY-UHFFFAOYSA-N
XLogP1.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid?
The IUPAC name of 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid (CID 83484569) is 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid is Cc1cc2c(o1)CNCC2CC(=O)O.
What is the InChIKey of 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid?
The InChIKey is CENDPIDQDCQGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-8-7(3-10(12)13)4-11-5-9(8)14-6/h2,7,11H,3-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid?
2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridin-4-yl)acetic acid is sourced from PubChem (CID 83484569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).