3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid

C13H20N2O3 — CID 114938682

IUPAC3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCCN(CC)C(CC(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C13H20N2O3/c1-4-15(5-2)11(8-13(16)17)10-6-7-12(18-3)14-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIUWDBMCQJHYOKV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.95
Rot. Bonds7

About 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid

3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 114938682) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
PubChem CID114938682
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCCN(CC)C(CC(=O)O)c1ccc(OC)nc1
InChIInChI=1S/C13H20N2O3/c1-4-15(5-2)11(8-13(16)17)10-6-7-12(18-3)14-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyIUWDBMCQJHYOKV-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3S)-3-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7016833
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
3-(4-bromophenyl)-3-(diethylamino)propanoic acid
CID 64527008
3-[[2-(4-bromophenyl)-3-hydroxypropanoyl]amino]-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 134498900
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 114938682) is 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid is CCN(CC)C(CC(=O)O)c1ccc(OC)nc1.
What is the InChIKey of 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid?
The InChIKey is IUWDBMCQJHYOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15(5-2)11(8-13(16)17)10-6-7-12(18-3)14-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid?
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 114938682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).