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

C11H17N3O3 — CID 171899146

IUPAC4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(N)c(N)cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H17N3O3/c1-5-2-7(12)8(13)3-6(5)11(17)9(15)4-10(14)16/h2-3,9,11,15,17H,4,12-13H2,1H3,(H2,14,16)
InChIKeyAOIVCKXGMLSRLR-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.57
Rot. Bonds4

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

4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899146) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
PubChem CID171899146
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1cc(N)c(N)cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H17N3O3/c1-5-2-7(12)8(13)3-6(5)11(17)9(15)4-10(14)16/h2-3,9,11,15,17H,4,12-13H2,1H3,(H2,14,16)
InChIKeyAOIVCKXGMLSRLR-UHFFFAOYSA-N
XLogP-0.57
TPSA135.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
4-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899858
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
2-(4,5-diamino-2-methylphenyl)propanamide
CID 175309990
methyl 4-(4-amino-5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171895606

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide (CID 171899146) is 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide is Cc1cc(N)c(N)cc1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is AOIVCKXGMLSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-2-7(12)8(13)3-6(5)11(17)9(15)4-10(14)16/h2-3,9,11,15,17H,4,12-13H2,1H3,(H2,14,16).
What are the key properties of 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide?
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 239.28 g/mol, XLogP of -0.57, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).