(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid

C13H13N3O2 — CID 10060325

IUPAC(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccn2)nc1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1
InChIKeyVWTQURBMIRJISI-JTQLQIEISA-N
MW243.27 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid

(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid (PubChem CID 10060325) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
PubChem CID10060325
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccccn2)nc1)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1
InChIKeyVWTQURBMIRJISI-JTQLQIEISA-N
XLogP1.10
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid (CID 10060325) is (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid is N[C@@H](Cc1ccc(-c2ccccn2)nc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is VWTQURBMIRJISI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid?
(2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 10060325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).