2-methoxyethyl (2R)-2-amino-3-phenylpropanoate

C12H17NO3 — CID 104902257

IUPAC2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
SMILESCOCCOC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-7-8-16-12(14)11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m1/s1
InChIKeyZPNFSDRHMJNRBM-LLVKDONJSA-N
MW223.27 g/mol
LogP0.75
Rot. Bonds6

About 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate

2-methoxyethyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 104902257) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
PubChem CID104902257
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
SMILESCOCCOC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C12H17NO3/c1-15-7-8-16-12(14)11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m1/s1
InChIKeyZPNFSDRHMJNRBM-LLVKDONJSA-N
XLogP0.75
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl (2S)-2-amino-3-phenylpropanoate
CID 61278803
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
3-methylbutyl 2-amino-3-phenylpropanoate
CID 61278471
2-bromoethyl (2S)-2-amino-3-phenylpropanoate
CID 14217156
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
CID 169084038
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
docosyl (2S)-2-amino-3-phenylpropanoate
CID 139923900

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate (CID 104902257) is 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate is COCCOC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is ZPNFSDRHMJNRBM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-7-8-16-12(14)11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/t11-/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate?
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 223.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 104902257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).