2-(diethylamino)-2-pyridin-3-ylacetic acid

C11H16N2O2 — CID 43803724

IUPAC2-(diethylamino)-2-pyridin-3-ylacetic acid
SMILESCCN(CC)C(C(=O)O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-13(4-2)10(11(14)15)9-6-5-7-12-8-9/h5-8,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyOIPMZSGFZUHNIH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds5

About 2-(diethylamino)-2-pyridin-3-ylacetic acid

2-(diethylamino)-2-pyridin-3-ylacetic acid (PubChem CID 43803724) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(diethylamino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-pyridin-3-ylacetic acid
PubChem CID43803724
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(diethylamino)-2-pyridin-3-ylacetic acid
SMILESCCN(CC)C(C(=O)O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-13(4-2)10(11(14)15)9-6-5-7-12-8-9/h5-8,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyOIPMZSGFZUHNIH-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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Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
CID 63688516
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(diethylamino)-2-pyridin-3-ylacetic acid (CID 43803724) is 2-(diethylamino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(diethylamino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(diethylamino)-2-pyridin-3-ylacetic acid is CCN(CC)C(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(diethylamino)-2-pyridin-3-ylacetic acid?
The InChIKey is OIPMZSGFZUHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-13(4-2)10(11(14)15)9-6-5-7-12-8-9/h5-8,10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-(diethylamino)-2-pyridin-3-ylacetic acid?
2-(diethylamino)-2-pyridin-3-ylacetic 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-(diethylamino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 43803724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).