2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid

C9H10N2O2 — CID 117224007

IUPAC2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid
SMILESO=C(O)CN1CCc2cnccc21
InChIInChI=1S/C9H10N2O2/c12-9(13)6-11-4-2-7-5-10-3-1-8(7)11/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyBNHWFHCRHPJBPU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.53
Rot. Bonds2

About 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid

2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid (PubChem CID 117224007) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid
PubChem CID117224007
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid
SMILESO=C(O)CN1CCc2cnccc21
InChIInChI=1S/C9H10N2O2/c12-9(13)6-11-4-2-7-5-10-3-1-8(7)11/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyBNHWFHCRHPJBPU-UHFFFAOYSA-N
XLogP0.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 75502685
2,3-dihydropyrrolo[3,2-c]pyridine-1-sulfonamide
CID 130666144
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
CID 82041294
(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 86803204

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid (CID 117224007) is 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid is O=C(O)CN1CCc2cnccc21.
What is the InChIKey of 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid?
The InChIKey is BNHWFHCRHPJBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)6-11-4-2-7-5-10-3-1-8(7)11/h1,3,5H,2,4,6H2,(H,12,13).
What are the key properties of 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid?
2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid has a molecular weight of 178.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)acetic acid is sourced from PubChem (CID 117224007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).