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

C11H16N2O4 — CID 151164721

IUPAC2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid
SMILESCCOc1c(OC)ccnc1NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-17-9-8(16-3)5-6-12-10(9)13-7(2)11(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNAZUOBBFZAQCDJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.37
Rot. Bonds6

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

2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid (PubChem CID 151164721) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid
PubChem CID151164721
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid
SMILESCCOc1c(OC)ccnc1NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-17-9-8(16-3)5-6-12-10(9)13-7(2)11(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyNAZUOBBFZAQCDJ-UHFFFAOYSA-N
XLogP1.37
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
2-[[4-[(2-methoxyphenoxy)methyl]phthalazin-1-yl]amino]propanoic acid
CID 82045378
(2R)-2-[(8-fluoro-7-methoxyquinazolin-4-yl)amino]propanoic acid
CID 122049877
1-(1-carboxyethylamino)isoquinoline-5-carboxylic acid
CID 82571117
2-[(3-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 54121972
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536125
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]propanoate
CID 106538103

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid (CID 151164721) is 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid is CCOc1c(OC)ccnc1NC(C)C(=O)O.
What is the InChIKey of 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid?
The InChIKey is NAZUOBBFZAQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-9-8(16-3)5-6-12-10(9)13-7(2)11(14)15/h5-7H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid?
2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxy-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 151164721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).