N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide

C9H11NO4 — CID 72707601

IUPACN,3-dihydroxy-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CC(O)c1cccc(O)c1)NO
InChIInChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10-14/h1-4,8,11-12,14H,5H2,(H,10,13)
InChIKeyYHZVXWISURHQRS-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.32
Rot. Bonds3

About N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide

N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide (PubChem CID 72707601) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-(3-hydroxyphenyl)propanamide
PubChem CID72707601
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC NameN,3-dihydroxy-3-(3-hydroxyphenyl)propanamide
SMILESO=C(CC(O)c1cccc(O)c1)NO
InChIInChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10-14/h1-4,8,11-12,14H,5H2,(H,10,13)
InChIKeyYHZVXWISURHQRS-UHFFFAOYSA-N
XLogP0.32
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide?
The IUPAC name of N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide (CID 72707601) is N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide?
The canonical SMILES for N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide is O=C(CC(O)c1cccc(O)c1)NO.
What is the InChIKey of N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide?
The InChIKey is YHZVXWISURHQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10-14/h1-4,8,11-12,14H,5H2,(H,10,13).
What are the key properties of N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide?
N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide has a molecular weight of 197.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 72707601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).