2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid

C11H14N2O2 — CID 131219428

IUPAC2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
SMILESCc1cc(NC2(CC(=O)O)CC2)ccn1
InChIInChI=1S/C11H14N2O2/c1-8-6-9(2-5-12-8)13-11(3-4-11)7-10(14)15/h2,5-6H,3-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXEOZQNULHCJXJH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.81
Rot. Bonds4

About 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid

2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid (PubChem CID 131219428) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
PubChem CID131219428
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid
SMILESCc1cc(NC2(CC(=O)O)CC2)ccn1
InChIInChI=1S/C11H14N2O2/c1-8-6-9(2-5-12-8)13-11(3-4-11)7-10(14)15/h2,5-6H,3-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXEOZQNULHCJXJH-UHFFFAOYSA-N
XLogP1.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid (CID 131219428) is 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid is Cc1cc(NC2(CC(=O)O)CC2)ccn1.
What is the InChIKey of 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid?
The InChIKey is XEOZQNULHCJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-6-9(2-5-12-8)13-11(3-4-11)7-10(14)15/h2,5-6H,3-4,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid?
2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-4-pyridinyl)amino]cyclopropyl]acetic acid is sourced from PubChem (CID 131219428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).