ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate

C11H16N2O3 — CID 124559660

IUPACethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1ccnc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-3-16-11(14)9(12)6-8-4-5-13-10(7-8)15-2/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyVKKJEIBKKKWVJB-SECBINFHSA-N
MW224.26 g/mol
LogP0.52
Rot. Bonds5

About ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate

ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate (PubChem CID 124559660) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
PubChem CID124559660
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
SMILESCCOC(=O)[C@H](N)Cc1ccnc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-3-16-11(14)9(12)6-8-4-5-13-10(7-8)15-2/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1
InChIKeyVKKJEIBKKKWVJB-SECBINFHSA-N
XLogP0.52
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
methyl 2-formyl-3-(2-methoxy-4-pyridinyl)propanoate
CID 88621227
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
ethyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoate
CID 54333119
2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
CID 90034851
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate (CID 124559660) is ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate is CCOC(=O)[C@H](N)Cc1ccnc(OC)c1.
What is the InChIKey of ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate?
The InChIKey is VKKJEIBKKKWVJB-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-11(14)9(12)6-8-4-5-13-10(7-8)15-2/h4-5,7,9H,3,6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate?
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate is sourced from PubChem (CID 124559660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).