2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid

C12H19N3O2 — CID 107424784

IUPAC2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
SMILESCc1cnccc1N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H19N3O2/c1-10-8-13-5-4-11(10)15(9-12(16)17)7-6-14(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyWWJRBWIGLDWODJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid (PubChem CID 107424784) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
PubChem CID107424784
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
SMILESCc1cnccc1N(CCN(C)C)CC(=O)O
InChIInChI=1S/C12H19N3O2/c1-10-8-13-5-4-11(10)15(9-12(16)17)7-6-14(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyWWJRBWIGLDWODJ-UHFFFAOYSA-N
XLogP0.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-[N-[2-(dimethylamino)ethyl]-2-methyl-5-nitroanilino]acetic acid
CID 107424872
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
2-[2-(dimethylamino)ethyl-(4-methyl-3-nitro-2-pyridinyl)amino]acetic acid
CID 107424948
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424760
2-[2-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107425014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid (CID 107424784) is 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid is Cc1cnccc1N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid?
The InChIKey is WWJRBWIGLDWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-8-13-5-4-11(10)15(9-12(16)17)7-6-14(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid is sourced from PubChem (CID 107424784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).