2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid

C13H14N2O2 — CID 84693471

IUPAC2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
SMILESCn1c(C2CC2)c(CC(=O)O)c2ncccc21
InChIInChI=1S/C13H14N2O2/c1-15-10-3-2-6-14-12(10)9(7-11(16)17)13(15)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyBBZOEDJNAYCDNB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.08
Rot. Bonds3

About 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid

2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid (PubChem CID 84693471) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
PubChem CID84693471
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
SMILESCn1c(C2CC2)c(CC(=O)O)c2ncccc21
InChIInChI=1S/C13H14N2O2/c1-15-10-3-2-6-14-12(10)9(7-11(16)17)13(15)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyBBZOEDJNAYCDNB-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84670204
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
5,6-dimethyl-6,7-dihydropyrido[3,2-b]indole
CID 163994606
1-[2-(cyclopropylamino)ethyl]-3-ethylpyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 175435103
(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84692905
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
N,N-diethyl-2-[1-[(4-phenylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]acetamide
CID 177244994
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
CID 71501908
1-(3-ethyl-1-methylpyrrolo[3,2-b]pyridin-2-yl)-N-methylmethanimine
CID 148771611
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 84681720
2-(3-methyl-2-pyridin-2-ylimidazol-4-yl)acetic acid
CID 83821721

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid (CID 84693471) is 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid is Cn1c(C2CC2)c(CC(=O)O)c2ncccc21.
What is the InChIKey of 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid?
The InChIKey is BBZOEDJNAYCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-10-3-2-6-14-12(10)9(7-11(16)17)13(15)8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid?
2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 84693471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).