2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid

C11H16N2O2 — CID 82395377

IUPAC2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2c(cc(CC(=O)O)n2C)C1
InChIInChI=1S/C11H16N2O2/c1-12-4-3-10-8(7-12)5-9(13(10)2)6-11(14)15/h5H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyJSGDGXZNALYDBG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.64
Rot. Bonds2

About 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid

2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid (PubChem CID 82395377) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
PubChem CID82395377
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
SMILESCN1CCc2c(cc(CC(=O)O)n2C)C1
InChIInChI=1S/C11H16N2O2/c1-12-4-3-10-8(7-12)5-9(13(10)2)6-11(14)15/h5H,3-4,6-7H2,1-2H3,(H,14,15)
InChIKeyJSGDGXZNALYDBG-UHFFFAOYSA-N
XLogP0.64
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82401146
(E)-3-(1,6-dimethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82522082
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213213
2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid
CID 67086366
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
5-[(2-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213218
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
6-methyl-1-pentyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521858
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213216

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid (CID 82395377) is 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid is CN1CCc2c(cc(CC(=O)O)n2C)C1.
What is the InChIKey of 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid?
The InChIKey is JSGDGXZNALYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-4-3-10-8(7-12)5-9(13(10)2)6-11(14)15/h5H,3-4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid?
2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid is sourced from PubChem (CID 82395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).