(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

C10H11N3O2 — CID 7000165

IUPAC(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c2ncccc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeySNLOIIPRZGMRAB-QMMMGPOBSA-N
MW205.22 g/mol
LogP0.52
Rot. Bonds3

About (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid (PubChem CID 7000165) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
PubChem CID7000165
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
SMILESN[C@@H](Cc1c[nH]c2ncccc12)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeySNLOIIPRZGMRAB-QMMMGPOBSA-N
XLogP0.52
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid (CID 7000165) is (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid is N[C@@H](Cc1c[nH]c2ncccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The InChIKey is SNLOIIPRZGMRAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 7000165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).