ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate

C12H18N2O3 — CID 68817802

IUPACethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(OCC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-16-11-6-5-9(8-14-11)7-10(13)12(15)17-4-2/h5-6,8,10H,3-4,7,13H2,1-2H3/t10-/m0/s1
InChIKeyFDKHDGZYDXEEIC-JTQLQIEISA-N
MW238.29 g/mol
LogP0.91
Rot. Bonds6

About ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate

ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate (PubChem CID 68817802) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
PubChem CID68817802
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(OCC)nc1
InChIInChI=1S/C12H18N2O3/c1-3-16-11-6-5-9(8-14-11)7-10(13)12(15)17-4-2/h5-6,8,10H,3-4,7,13H2,1-2H3/t10-/m0/s1
InChIKeyFDKHDGZYDXEEIC-JTQLQIEISA-N
XLogP0.91
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
2-ethoxy-5-propylpyridine
CID 57169031
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl (2S)-2-amino-3-(4-chlorosulfonylphenyl)propanoate
CID 167724205
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate (CID 68817802) is ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate is CCOC(=O)[C@@H](N)Cc1ccc(OCC)nc1.
What is the InChIKey of ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate?
The InChIKey is FDKHDGZYDXEEIC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-16-11-6-5-9(8-14-11)7-10(13)12(15)17-4-2/h5-6,8,10H,3-4,7,13H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate?
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 68817802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).