4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide

C11H16N2O3 — CID 171898906

IUPAC4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1ccc(N)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-6-2-3-8(12)7(4-6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyHOKHSULXUFYPPQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.15
Rot. Bonds4

About 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide

4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171898906) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
PubChem CID171898906
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1ccc(N)c(C(O)C(O)CC(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-6-2-3-8(12)7(4-6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyHOKHSULXUFYPPQ-UHFFFAOYSA-N
XLogP-0.15
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methylbenzoic acid
CID 171899487
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide (CID 171898906) is 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide is Cc1ccc(N)c(C(O)C(O)CC(N)=O)c1.
What is the InChIKey of 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is HOKHSULXUFYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-2-3-8(12)7(4-6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5,12H2,1H3,(H2,13,15).
What are the key properties of 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide?
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 224.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).