(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid

C10H11N3O2 — CID 83193919

IUPAC(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyLEFSSKQJYDHQKV-SSDOTTSWSA-N
MW205.22 g/mol
LogP0.52
Rot. Bonds4

About (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid

(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid (PubChem CID 83193919) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
PubChem CID83193919
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cccnc1C#N)C(=O)O
InChIInChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyLEFSSKQJYDHQKV-SSDOTTSWSA-N
XLogP0.52
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid (CID 83193919) is (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid is C[C@@H](NCc1cccnc1C#N)C(=O)O.
What is the InChIKey of (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
The InChIKey is LEFSSKQJYDHQKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(10(14)15)13-6-8-3-2-4-12-9(8)5-11/h2-4,7,13H,6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid?
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 83193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).