ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate

C11H16N2O3 — CID 18796228

IUPACethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
SMILESCCOC(=O)CCCOc1cccnc1N
InChIInChI=1S/C11H16N2O3/c1-2-15-10(14)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3,(H2,12,13)
InChIKeySZFCFTNDDCJNTI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.39
Rot. Bonds6

About ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate

ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate (PubChem CID 18796228) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
PubChem CID18796228
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
SMILESCCOC(=O)CCCOc1cccnc1N
InChIInChI=1S/C11H16N2O3/c1-2-15-10(14)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3,(H2,12,13)
InChIKeySZFCFTNDDCJNTI-UHFFFAOYSA-N
XLogP1.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
5-[(2-amino-3-pyridinyl)oxy]pentan-1-ol
CID 62229508
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
ethyl 9-(3-bromo-2-methylphenoxy)nonanoate
CID 170321461
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
ethyl 4-[7-(4-ethoxy-4-oxobutoxy)-3,6,10,11-tetrapentoxytriphenylen-2-yl]oxybutanoate
CID 86346201
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate?
The IUPAC name of ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate (CID 18796228) is ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate.
What is the SMILES notation for ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate?
The canonical SMILES for ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate is CCOC(=O)CCCOc1cccnc1N.
What is the InChIKey of ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate?
The InChIKey is SZFCFTNDDCJNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-15-10(14)6-4-8-16-9-5-3-7-13-11(9)12/h3,5,7H,2,4,6,8H2,1H3,(H2,12,13).
What are the key properties of ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate?
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate has a molecular weight of 224.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate is sourced from PubChem (CID 18796228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).