4-(methylamino)-4-pyridin-3-ylbutanoic acid

C10H14N2O2 — CID 4253267

IUPAC4-(methylamino)-4-pyridin-3-ylbutanoic acid
SMILESCNC(CCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-11-9(4-5-10(13)14)8-3-2-6-12-7-8/h2-3,6-7,9,11H,4-5H2,1H3,(H,13,14)
InChIKeyWERGJLUDJRKXIV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.21
Rot. Bonds5

About 4-(methylamino)-4-pyridin-3-ylbutanoic acid

4-(methylamino)-4-pyridin-3-ylbutanoic acid (PubChem CID 4253267) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(methylamino)-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-(methylamino)-4-pyridin-3-ylbutanoic acid
PubChem CID4253267
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(methylamino)-4-pyridin-3-ylbutanoic acid
SMILESCNC(CCC(=O)O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-11-9(4-5-10(13)14)8-3-2-6-12-7-8/h2-3,6-7,9,11H,4-5H2,1H3,(H,13,14)
InChIKeyWERGJLUDJRKXIV-UHFFFAOYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-(methylamino)-4-pyridin-3-ylbutanoic acid (CID 4253267) is 4-(methylamino)-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-(methylamino)-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-(methylamino)-4-pyridin-3-ylbutanoic acid is CNC(CCC(=O)O)c1cccnc1.
What is the InChIKey of 4-(methylamino)-4-pyridin-3-ylbutanoic acid?
The InChIKey is WERGJLUDJRKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-9(4-5-10(13)14)8-3-2-6-12-7-8/h2-3,6-7,9,11H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-(methylamino)-4-pyridin-3-ylbutanoic acid?
4-(methylamino)-4-pyridin-3-ylbutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 4253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).