2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid

C10H14N2O2 — CID 82401146

IUPAC2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2[nH]c(CC(=O)O)cc2C1
InChIInChI=1S/C10H14N2O2/c1-12-3-2-9-7(6-12)4-8(11-9)5-10(13)14/h4,11H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyWJVDNUDNEGXHHA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.63
Rot. Bonds2

About 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid

2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid (PubChem CID 82401146) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
PubChem CID82401146
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2[nH]c(CC(=O)O)cc2C1
InChIInChI=1S/C10H14N2O2/c1-12-3-2-9-7(6-12)4-8(11-9)5-10(13)14/h4,11H,2-3,5-6H2,1H3,(H,13,14)
InChIKeyWJVDNUDNEGXHHA-UHFFFAOYSA-N
XLogP0.63
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 82410032
2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82395377
6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522145
3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522143
2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 96609619
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
2-(7-methyl-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetic acid
CID 83871520
1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 70937776
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
3-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
CID 99983365
2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide
CID 166281162

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid (CID 82401146) is 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid is CN1CCc2[nH]c(CC(=O)O)cc2C1.
What is the InChIKey of 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The InChIKey is WJVDNUDNEGXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-3-2-9-7(6-12)4-8(11-9)5-10(13)14/h4,11H,2-3,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid?
2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid is sourced from PubChem (CID 82401146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).