(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide

C11H16N2O2 — CID 97315329

IUPAC(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C11H16N2O2/c1-3-8(12)11(15)13-9-5-4-7(2)6-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyVJFXBJZDKRYRJF-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide

(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide (PubChem CID 97315329) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
PubChem CID97315329
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C11H16N2O2/c1-3-8(12)11(15)13-9-5-4-7(2)6-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyVJFXBJZDKRYRJF-QMMMGPOBSA-N
XLogP1.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
methyl 2-(2-aminobutanoylamino)-5-methylbenzoate
CID 43701497
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
CID 79024730
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide (CID 97315329) is (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide is CC[C@H](N)C(=O)Nc1ccc(C)cc1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide?
The InChIKey is VJFXBJZDKRYRJF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8(12)11(15)13-9-5-4-7(2)6-10(9)14/h4-6,8,14H,3,12H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide?
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide has a molecular weight of 208.26 g/mol, XLogP of 1.38, 3 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-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 97315329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).