3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid

C11H16N2O2 — CID 84676163

IUPAC3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
SMILESCC(C)Nc1ccncc1CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(2)13-10-5-6-12-7-9(10)3-4-11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVWPKGKFWLXGPCS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.92
Rot. Bonds5

About 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid

3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid (PubChem CID 84676163) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
PubChem CID84676163
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid
SMILESCC(C)Nc1ccncc1CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(2)13-10-5-6-12-7-9(10)3-4-11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVWPKGKFWLXGPCS-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid (CID 84676163) is 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid is CC(C)Nc1ccncc1CCC(=O)O.
What is the InChIKey of 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid?
The InChIKey is VWPKGKFWLXGPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)13-10-5-6-12-7-9(10)3-4-11(14)15/h5-8H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid?
3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylamino)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 84676163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).