2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid

C11H13N3O2 — CID 79798018

IUPAC2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1cccc(C#N)n1)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-3-11(2,10(15)16)14-9-6-4-5-8(7-12)13-9/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUCMIXIDPUHDQOQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds4

About 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid

2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid (PubChem CID 79798018) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
PubChem CID79798018
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1cccc(C#N)n1)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-3-11(2,10(15)16)14-9-6-4-5-8(7-12)13-9/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUCMIXIDPUHDQOQ-UHFFFAOYSA-N
XLogP1.62
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyano-2-pyridinyl)amino]-2-methylpentanoic acid
CID 64590334
2-[(6-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798120
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
CID 107543089
2-[(3-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79792497
(2R)-2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 148752104
2-methyl-2-[(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 79798017
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
2-(2,6-dimethylanilino)-2-methylbutanoic acid
CID 70558960
(2S)-2-amino-2-(6-cyano-2-pyridinyl)propanoic acid
CID 55274200
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid (CID 79798018) is 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid is CCC(C)(Nc1cccc(C#N)n1)C(=O)O.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid?
The InChIKey is UCMIXIDPUHDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-11(2,10(15)16)14-9-6-4-5-8(7-12)13-9/h4-6H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid?
2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79798018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).