3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid

C11H16N2O2 — CID 115220231

IUPAC3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid
SMILESCC(C)(CNc1ccncc1)CC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,7-10(14)15)8-13-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUQWPQCZRCJVSJU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.99
Rot. Bonds5

About 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid

3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid (PubChem CID 115220231) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid
PubChem CID115220231
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid
SMILESCC(C)(CNc1ccncc1)CC(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,7-10(14)15)8-13-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUQWPQCZRCJVSJU-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid?
The IUPAC name of 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid (CID 115220231) is 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid is CC(C)(CNc1ccncc1)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid?
The InChIKey is UQWPQCZRCJVSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,7-10(14)15)8-13-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid?
3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid is sourced from PubChem (CID 115220231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).