2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid

C14H17N3O2 — CID 66413596

IUPAC2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H17N3O2/c18-13(19)7-11-3-2-6-17(11)9-10-8-16-14-12(10)4-1-5-15-14/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16)(H,18,19)
InChIKeyVAQMCIJDQMVCJI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid

2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 66413596) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
PubChem CID66413596
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1c[nH]c2ncccc12
InChIInChI=1S/C14H17N3O2/c18-13(19)7-11-3-2-6-17(11)9-10-8-16-14-12(10)4-1-5-15-14/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16)(H,18,19)
InChIKeyVAQMCIJDQMVCJI-UHFFFAOYSA-N
XLogP2.00
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiomorpholin-3-yl]acetic acid
CID 66421974
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371323
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 104505267
2-[1-(1-benzofuran-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 80702676
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989
(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid
CID 167955425
2-[acetyl-[(4R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]azepan-4-yl]amino]acetic acid
CID 129342694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid (CID 66413596) is 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1c[nH]c2ncccc12.
What is the InChIKey of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is VAQMCIJDQMVCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13(19)7-11-3-2-6-17(11)9-10-8-16-14-12(10)4-1-5-15-14/h1,4-5,8,11H,2-3,6-7,9H2,(H,15,16)(H,18,19).
What are the key properties of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 66413596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).