2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid

C11H17N3O3 — CID 66174302

IUPAC2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
SMILESCOc1nccc(N(C)C)c1NC(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(11(15)16)13-9-8(14(2)3)5-6-12-10(9)17-4/h5-7,13H,1-4H3,(H,15,16)
InChIKeyCMWMAZHVTMBPQA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.04
Rot. Bonds5

About 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid

2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid (PubChem CID 66174302) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
PubChem CID66174302
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
SMILESCOc1nccc(N(C)C)c1NC(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(11(15)16)13-9-8(14(2)3)5-6-12-10(9)17-4/h5-7,13H,1-4H3,(H,15,16)
InChIKeyCMWMAZHVTMBPQA-UHFFFAOYSA-N
XLogP1.04
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid (CID 66174302) is 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid is COc1nccc(N(C)C)c1NC(C)C(=O)O.
What is the InChIKey of 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid?
The InChIKey is CMWMAZHVTMBPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(11(15)16)13-9-8(14(2)3)5-6-12-10(9)17-4/h5-7,13H,1-4H3,(H,15,16).
What are the key properties of 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid?
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 66174302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).