methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate

C11H17N3O3 — CID 61295169

IUPACmethyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
SMILESCCOc1nc(NCCC(=O)OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-17-11-8(12)4-5-9(14-11)13-7-6-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFSTXEEAQTCQCPD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.04
Rot. Bonds6

About methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate

methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate (PubChem CID 61295169) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
PubChem CID61295169
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
SMILESCCOc1nc(NCCC(=O)OC)ccc1N
InChIInChI=1S/C11H17N3O3/c1-3-17-11-8(12)4-5-9(14-11)13-7-6-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFSTXEEAQTCQCPD-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 methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate (CID 61295169) is methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate is CCOc1nc(NCCC(=O)OC)ccc1N.
What is the InChIKey of methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate?
The InChIKey is FSTXEEAQTCQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-11-8(12)4-5-9(14-11)13-7-6-10(15)16-2/h4-5H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate?
methyl 3-[(5-amino-6-ethoxy-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 methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 61295169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).