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

C11H16N2O2 — CID 107734784

IUPAC(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-5-4-6-9(14)7-8/h4-7,10,14H,3,12H2,1-2H3/t10-/m0/s1
InChIKeyJRCBFUZNCHGNCE-JTQLQIEISA-N
MW208.26 g/mol
LogP1.09
Rot. Bonds3

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

(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide (PubChem CID 107734784) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
PubChem CID107734784
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-5-4-6-9(14)7-8/h4-7,10,14H,3,12H2,1-2H3/t10-/m0/s1
InChIKeyJRCBFUZNCHGNCE-JTQLQIEISA-N
XLogP1.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
CID 107735712
(2R)-2-amino-N-methyl-N-(3-methylphenyl)pentanamide
CID 103794882
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide (CID 107734784) is (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide is CC[C@H](N)C(=O)N(C)c1cccc(O)c1.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide?
The InChIKey is JRCBFUZNCHGNCE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(12)11(15)13(2)8-5-4-6-9(14)7-8/h4-7,10,14H,3,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide?
(2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide has a molecular weight of 208.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-hydroxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 107734784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).