(2S)-2-amino-N-ethoxy-3-phenylpropanamide

C11H16N2O2 — CID 64974630

IUPAC(2S)-2-amino-N-ethoxy-3-phenylpropanamide
SMILESCCONC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-15-13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyDJLMUQPWGDQDQA-JTQLQIEISA-N
MW208.26 g/mol
LogP0.62
Rot. Bonds5

About (2S)-2-amino-N-ethoxy-3-phenylpropanamide

(2S)-2-amino-N-ethoxy-3-phenylpropanamide (PubChem CID 64974630) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-ethoxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethoxy-3-phenylpropanamide
PubChem CID64974630
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-ethoxy-3-phenylpropanamide
SMILESCCONC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-15-13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyDJLMUQPWGDQDQA-JTQLQIEISA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2R)-2-amino-N-ethoxy-2-phenylacetamide
CID 64974581
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethoxy-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-ethoxy-3-phenylpropanamide (CID 64974630) is (2S)-2-amino-N-ethoxy-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-ethoxy-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-ethoxy-3-phenylpropanamide is CCONC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethoxy-3-phenylpropanamide?
The InChIKey is DJLMUQPWGDQDQA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-13-11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethoxy-3-phenylpropanamide?
(2S)-2-amino-N-ethoxy-3-phenylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethoxy-3-phenylpropanamide is sourced from PubChem (CID 64974630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).