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

C10H13N3O3 — CID 24801922

IUPAC2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate
SMILESNC(Cc1c[nH]c2ncccc12)C(=O)O.O
InChIInChI=1S/C10H11N3O2.H2O/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);1H2
InChIKeyPXDRHYQAIUZKHN-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.31
Rot. Bonds3

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

2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate (PubChem CID 24801922) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate.

Molecular Properties

Compound Name2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate
PubChem CID24801922
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate
SMILESNC(Cc1c[nH]c2ncccc12)C(=O)O.O
InChIInChI=1S/C10H11N3O2.H2O/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);1H2
InChIKeyPXDRHYQAIUZKHN-UHFFFAOYSA-N
XLogP-0.31
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate?
The IUPAC name of 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate (CID 24801922) is 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate.
What is the SMILES notation for 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate?
The canonical SMILES for 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate is NC(Cc1c[nH]c2ncccc12)C(=O)O.O.
What is the InChIKey of 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate?
The InChIKey is PXDRHYQAIUZKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.H2O/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);1H2.
What are the key properties of 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate?
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate has a molecular weight of 223.23 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;hydrate is sourced from PubChem (CID 24801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).