4-(3-aminophenyl)-3,4-dihydroxybutanamide

C10H14N2O3 — CID 171898668

IUPAC4-(3-aminophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O3/c11-7-3-1-2-6(4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5,11H2,(H2,12,14)
InChIKeyFEPCWLLQBHTZEY-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.46
Rot. Bonds4

About 4-(3-aminophenyl)-3,4-dihydroxybutanamide

4-(3-aminophenyl)-3,4-dihydroxybutanamide (PubChem CID 171898668) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-3,4-dihydroxybutanamide
PubChem CID171898668
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(3-aminophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O3/c11-7-3-1-2-6(4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5,11H2,(H2,12,14)
InChIKeyFEPCWLLQBHTZEY-UHFFFAOYSA-N
XLogP-0.46
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.46
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-phenylbutanamide
CID 171898569
4-(3-formylphenyl)-3,4-dihydroxybutanamide
CID 171898794
4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898699
2-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171899481
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
methyl 2-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]acetate
CID 171899743
1-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]cyclopropane-1-carboxylic acid
CID 171899979
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
4-[3-amino-4-(trifluoromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171899827
(2R)-2-(3-aminophenyl)-2-hydroxyacetamide
CID 129410054

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(3-aminophenyl)-3,4-dihydroxybutanamide (CID 171898668) is 4-(3-aminophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(3-aminophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(3-aminophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-3,4-dihydroxybutanamide?
The InChIKey is FEPCWLLQBHTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-7-3-1-2-6(4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5,11H2,(H2,12,14).
What are the key properties of 4-(3-aminophenyl)-3,4-dihydroxybutanamide?
4-(3-aminophenyl)-3,4-dihydroxybutanamide has a molecular weight of 210.23 g/mol, XLogP of -0.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).