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

C11H16N2O2 — CID 7315566

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C11H16N2O2/c12-10(11(15)13-6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8,12H2,(H,13,15)/t10-/m0/s1
InChIKeyFGXRCJWOYQHDOL-JTQLQIEISA-N
MW208.26 g/mol
LogP-0.34
Rot. Bonds5

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

(2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 7315566) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide
PubChem CID7315566
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C11H16N2O2/c12-10(11(15)13-6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8,12H2,(H,13,15)/t10-/m0/s1
InChIKeyFGXRCJWOYQHDOL-JTQLQIEISA-N
XLogP-0.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide (CID 7315566) is (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCO.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is FGXRCJWOYQHDOL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10(11(15)13-6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8,12H2,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 208.26 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 7315566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).