(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid

C9H9N3O2 — CID 55274200

IUPAC(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-9(11,8(13)14)7-4-2-3-6(5-10)12-7/h2-4H,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJZANPFAMNUBTHZ-VIFPVBQESA-N
MW191.19 g/mol
LogP0.21
Rot. Bonds2

About (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid

(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid (PubChem CID 55274200) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid
PubChem CID55274200
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(C#N)n1
InChIInChI=1S/C9H9N3O2/c1-9(11,8(13)14)7-4-2-3-6(5-10)12-7/h2-4H,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJZANPFAMNUBTHZ-VIFPVBQESA-N
XLogP0.21
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid (CID 55274200) is (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid is C[C@@](N)(C(=O)O)c1cccc(C#N)n1.
What is the InChIKey of (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid?
The InChIKey is JZANPFAMNUBTHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9N3O2/c1-9(11,8(13)14)7-4-2-3-6(5-10)12-7/h2-4H,11H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid?
(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid is sourced from PubChem (CID 55274200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).