2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid

C11H16N2O2 — CID 56710868

IUPAC2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
SMILESCCc1ccc(CN(C)CC(=O)O)nc1
InChIInChI=1S/C11H16N2O2/c1-3-9-4-5-10(12-6-9)7-13(2)8-11(14)15/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyLOABVSKCQRHGDG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.16
Rot. Bonds5

About 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid

2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid (PubChem CID 56710868) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
PubChem CID56710868
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
SMILESCCc1ccc(CN(C)CC(=O)O)nc1
InChIInChI=1S/C11H16N2O2/c1-3-9-4-5-10(12-6-9)7-13(2)8-11(14)15/h4-6H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyLOABVSKCQRHGDG-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
3-ethoxy-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpropanamide
CID 90652400
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 91766594
1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
CID 91836205
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid (CID 56710868) is 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid is CCc1ccc(CN(C)CC(=O)O)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid?
The InChIKey is LOABVSKCQRHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9-4-5-10(12-6-9)7-13(2)8-11(14)15/h4-6H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid?
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 56710868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).