2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid

C14H20N2O2 — CID 146135825

IUPAC2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1ccc(CN(C2CCC2)C(C)C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-10-6-7-12(15-8-10)9-16(11(2)14(17)18)13-4-3-5-13/h6-8,11,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyHXRJCOYIHXHQIR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.22
Rot. Bonds5

About 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid

2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid (PubChem CID 146135825) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid
PubChem CID146135825
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1ccc(CN(C2CCC2)C(C)C(=O)O)nc1
InChIInChI=1S/C14H20N2O2/c1-10-6-7-12(15-8-10)9-16(11(2)14(17)18)13-4-3-5-13/h6-8,11,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyHXRJCOYIHXHQIR-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The IUPAC name of 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid (CID 146135825) is 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid is Cc1ccc(CN(C2CCC2)C(C)C(=O)O)nc1.
What is the InChIKey of 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The InChIKey is HXRJCOYIHXHQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-7-12(15-8-10)9-16(11(2)14(17)18)13-4-3-5-13/h6-8,11,13H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid?
2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(5-methyl-2-pyridinyl)methyl]amino]propanoic acid is sourced from PubChem (CID 146135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).