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

C14H17N3O2 — CID 66413002

IUPAC2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H17N3O2/c18-13(19)6-10-3-5-17(8-10)9-11-7-16-14-12(11)2-1-4-15-14/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16)(H,18,19)
InChIKeyLGAXSCQQNYRDDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.86
Rot. Bonds4

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

2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid (PubChem CID 66413002) 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-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
PubChem CID66413002
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H17N3O2/c18-13(19)6-10-3-5-17(8-10)9-11-7-16-14-12(11)2-1-4-15-14/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16)(H,18,19)
InChIKeyLGAXSCQQNYRDDL-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 66413596
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
N-[[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 66410814
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiomorpholin-3-yl]acetic acid
CID 66421974
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
2-[4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]morpholin-2-yl]acetic acid
CID 120527820
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid (CID 66413002) is 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(Cc2c[nH]c3ncccc23)C1.
What is the InChIKey of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is LGAXSCQQNYRDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13(19)6-10-3-5-17(8-10)9-11-7-16-14-12(11)2-1-4-15-14/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16)(H,18,19).
What are the key properties of 2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid?
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.86, 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-3-yl]acetic acid is sourced from PubChem (CID 66413002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).