(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide

C10H14N2O2 — CID 20638149

IUPAC(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C10H14N2O2/c1-12-10(14)9(11)6-7-3-2-4-8(13)5-7/h2-5,9,13H,6,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyHWPNHKRJYGSTQE-VIFPVBQESA-N
MW194.23 g/mol
LogP0.01
Rot. Bonds3

About (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide

(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide (PubChem CID 20638149) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
PubChem CID20638149
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C10H14N2O2/c1-12-10(14)9(11)6-7-3-2-4-8(13)5-7/h2-5,9,13H,6,11H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyHWPNHKRJYGSTQE-VIFPVBQESA-N
XLogP0.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
bis(2-amino-N-methyl-3-phenylpropanamide);N,2-dimethyl-3-phenylpropanamide;methanamine;2-methyl-3-phenylpropanoic acid
CID 159251306
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide (CID 20638149) is (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide is CNC(=O)[C@@H](N)Cc1cccc(O)c1.
What is the InChIKey of (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is HWPNHKRJYGSTQE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-10(14)9(11)6-7-3-2-4-8(13)5-7/h2-5,9,13H,6,11H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide?
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 194.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 20638149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).