(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide

C12H18N2O2 — CID 79024730

IUPAC(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C12H18N2O2/c1-4-9(13)12(16)14-10-6-5-7(2)11(15)8(10)3/h5-6,9,15H,4,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyNRYNNDWTYVYYTB-VIFPVBQESA-N
MW222.29 g/mol
LogP1.68
Rot. Bonds3

About (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide

(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide (PubChem CID 79024730) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
PubChem CID79024730
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)c(O)c1C
InChIInChI=1S/C12H18N2O2/c1-4-9(13)12(16)14-10-6-5-7(2)11(15)8(10)3/h5-6,9,15H,4,13H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyNRYNNDWTYVYYTB-VIFPVBQESA-N
XLogP1.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
4-[[(2R)-2-aminobutanoyl]amino]-3-methylbenzoic acid
CID 79024587
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide (CID 79024730) is (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide is CC[C@H](N)C(=O)Nc1ccc(C)c(O)c1C.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
The InChIKey is NRYNNDWTYVYYTB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-9(13)12(16)14-10-6-5-7(2)11(15)8(10)3/h5-6,9,15H,4,13H2,1-3H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide?
(2S)-2-amino-N-(3-hydroxy-2,4-dimethylphenyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.68, 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-(3-hydroxy-2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 79024730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).