2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid

C13H19N3O4 — CID 82309686

IUPAC2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)c1ccc(N(C)C)nc1
InChIInChI=1S/C13H19N3O4/c1-9(13(19)20)16(7-6-12(17)18)10-4-5-11(14-8-10)15(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMFLLHFVAGMOJQZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid

2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid (PubChem CID 82309686) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid
PubChem CID82309686
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)c1ccc(N(C)C)nc1
InChIInChI=1S/C13H19N3O4/c1-9(13(19)20)16(7-6-12(17)18)10-4-5-11(14-8-10)15(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMFLLHFVAGMOJQZ-UHFFFAOYSA-N
XLogP0.90
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
3-[propan-2-yl-(6-pyrrolidin-1-yl-3-pyridinyl)amino]propanoic acid
CID 82310027
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
2-N,2-N,5-N,5-N-tetramethylpyridine-2,5-diamine
CID 122684073
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
3-(N-(1-amino-1-oxopropan-2-yl)-4-methylanilino)propanoic acid
CID 60838715
4-amino-5-[[6-(dimethylamino)-3-pyridinyl]amino]-5-oxopentanoic acid
CID 64894459
2-[N-(2-carboxyethyl)-3-chloro-2-methylanilino]propanoic acid
CID 82317155
3-[[6-(dimethylamino)-3-pyridinyl]amino]-2,5-dimethylhexanoic acid
CID 82310226
2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
CID 82317140
2-[4-(2-carboxyethyl)-N-(4-sulfanylbutyl)anilino]propanoic acid
CID 57088453
2-[(5-chloro-2-pyridinyl)-methylamino]propanoic acid
CID 120964121

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid (CID 82309686) is 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid is CC(C(=O)O)N(CCC(=O)O)c1ccc(N(C)C)nc1.
What is the InChIKey of 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid?
The InChIKey is MFLLHFVAGMOJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(13(19)20)16(7-6-12(17)18)10-4-5-11(14-8-10)15(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid?
2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl-[6-(dimethylamino)-3-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 82309686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).