ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate

C11H17N3O3 — CID 113286520

IUPACethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-17-10(15)6-7-13-11-8(12)4-5-9(14-11)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeySNOKJYQFKKYYII-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.04
Rot. Bonds6

About ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate

ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate (PubChem CID 113286520) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
PubChem CID113286520
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Nameethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1nc(OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-17-10(15)6-7-13-11-8(12)4-5-9(14-11)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeySNOKJYQFKKYYII-UHFFFAOYSA-N
XLogP1.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate (CID 113286520) is ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate is CCOC(=O)CCNc1nc(OC)ccc1N.
What is the InChIKey of ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate?
The InChIKey is SNOKJYQFKKYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-10(15)6-7-13-11-8(12)4-5-9(14-11)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate?
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate has a molecular weight of 239.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 113286520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).