(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide

C11H16N2O3 — CID 61155006

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCO
InChIInChI=1S/C11H16N2O3/c12-10(11(16)13-5-6-14)7-8-1-3-9(15)4-2-8/h1-4,10,14-15H,5-7,12H2,(H,13,16)/t10-/m0/s1
InChIKeyRMTSONACLMHNJF-JTQLQIEISA-N
MW224.26 g/mol
LogP-0.63
Rot. Bonds5

About (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 61155006) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID61155006
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCCO
InChIInChI=1S/C11H16N2O3/c12-10(11(16)13-5-6-14)7-8-1-3-9(15)4-2-8/h1-4,10,14-15H,5-7,12H2,(H,13,16)/t10-/m0/s1
InChIKeyRMTSONACLMHNJF-JTQLQIEISA-N
XLogP-0.63
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide (CID 61155006) is (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NCCO.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RMTSONACLMHNJF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O3/c12-10(11(16)13-5-6-14)7-8-1-3-9(15)4-2-8/h1-4,10,14-15H,5-7,12H2,(H,13,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 224.26 g/mol, XLogP of -0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 61155006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).