2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid

C10H11N3O2 — CID 130806228

IUPAC2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid
SMILESCc1cc(N(C)CC(=O)O)c(C#N)cn1
InChIInChI=1S/C10H11N3O2/c1-7-3-9(8(4-11)5-12-7)13(2)6-10(14)15/h3,5H,6H2,1-2H3,(H,14,15)
InChIKeyPXZLNHXPHDAVCQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.78
Rot. Bonds3

About 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid

2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid (PubChem CID 130806228) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid
PubChem CID130806228
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid
SMILESCc1cc(N(C)CC(=O)O)c(C#N)cn1
InChIInChI=1S/C10H11N3O2/c1-7-3-9(8(4-11)5-12-7)13(2)6-10(14)15/h3,5H,6H2,1-2H3,(H,14,15)
InChIKeyPXZLNHXPHDAVCQ-UHFFFAOYSA-N
XLogP0.78
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid (CID 130806228) is 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid is Cc1cc(N(C)CC(=O)O)c(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid?
The InChIKey is PXZLNHXPHDAVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-3-9(8(4-11)5-12-7)13(2)6-10(14)15/h3,5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid?
2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid is sourced from PubChem (CID 130806228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).