2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate

C11H16N2O3 — CID 142428515

IUPAC2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
SMILESCOCCOC(=O)[C@H](N)Cc1cccnc1
InChIInChI=1S/C11H16N2O3/c1-15-5-6-16-11(14)10(12)7-9-3-2-4-13-8-9/h2-4,8,10H,5-7,12H2,1H3/t10-/m1/s1
InChIKeyWVINPYFKAPCGRD-SNVBAGLBSA-N
MW224.26 g/mol
LogP0.14
Rot. Bonds6

About 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate

2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate (PubChem CID 142428515) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
PubChem CID142428515
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
SMILESCOCCOC(=O)[C@H](N)Cc1cccnc1
InChIInChI=1S/C11H16N2O3/c1-15-5-6-16-11(14)10(12)7-9-3-2-4-13-8-9/h2-4,8,10H,5-7,12H2,1H3/t10-/m1/s1
InChIKeyWVINPYFKAPCGRD-SNVBAGLBSA-N
XLogP0.14
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 ≤ 50.14
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

2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
(1-amino-2-pyridin-3-ylethyl)phosphonic acid
CID 15083562
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate?
The IUPAC name of 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate (CID 142428515) is 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate.
What is the SMILES notation for 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate?
The canonical SMILES for 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate is COCCOC(=O)[C@H](N)Cc1cccnc1.
What is the InChIKey of 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate?
The InChIKey is WVINPYFKAPCGRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-5-6-16-11(14)10(12)7-9-3-2-4-13-8-9/h2-4,8,10H,5-7,12H2,1H3/t10-/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate?
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate has a molecular weight of 224.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 142428515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).