2-[4-(diethylamino)-2-pyridinyl]acetic acid

C11H16N2O2 — CID 83883816

IUPAC2-[4-(diethylamino)-2-pyridinyl]acetic acid
SMILESCCN(CC)c1ccnc(CC(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-3-13(4-2)10-5-6-12-9(7-10)8-11(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyNILUOWKQDPBXGP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds5

About 2-[4-(diethylamino)-2-pyridinyl]acetic acid

2-[4-(diethylamino)-2-pyridinyl]acetic acid (PubChem CID 83883816) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-pyridinyl]acetic acid
PubChem CID83883816
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[4-(diethylamino)-2-pyridinyl]acetic acid
SMILESCCN(CC)c1ccnc(CC(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-3-13(4-2)10-5-6-12-9(7-10)8-11(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyNILUOWKQDPBXGP-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(diethylamino)-2-pyridinyl]acetic acid (CID 83883816) is 2-[4-(diethylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(diethylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(diethylamino)-2-pyridinyl]acetic acid is CCN(CC)c1ccnc(CC(=O)O)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-pyridinyl]acetic acid?
The InChIKey is NILUOWKQDPBXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13(4-2)10-5-6-12-9(7-10)8-11(14)15/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(diethylamino)-2-pyridinyl]acetic acid?
2-[4-(diethylamino)-2-pyridinyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 83883816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).