3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide

C9H12N2O4 — CID 53245952

IUPAC3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide
SMILESNNC(=O)C(O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O4/c10-11-9(15)8(14)4-5-1-2-6(12)7(13)3-5/h1-3,8,12-14H,4,10H2,(H,11,15)
InChIKeyGZLXHNWBNMWDIZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.01
Rot. Bonds3

About 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide

3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide (PubChem CID 53245952) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide
PubChem CID53245952
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide
SMILESNNC(=O)C(O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O4/c10-11-9(15)8(14)4-5-1-2-6(12)7(13)3-5/h1-3,8,12-14H,4,10H2,(H,11,15)
InChIKeyGZLXHNWBNMWDIZ-UHFFFAOYSA-N
XLogP-1.01
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
CID 162882690
4-(2-amino-2-hydroxyethyl)benzene-1,2-diol;hydrobromide
CID 69301121
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
CID 14274714
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(3-hydroxybutyl)propanamide
CID 64912248
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-propylpropanamide
CID 61149359
3-(3,4-dihydroxyphenyl)propanehydrazide
CID 3746537
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
CID 175932180
CID 175932180
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
(2S)-2-amino-N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 61275867

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide (CID 53245952) is 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide is NNC(=O)C(O)Cc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide?
The InChIKey is GZLXHNWBNMWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-11-9(15)8(14)4-5-1-2-6(12)7(13)3-5/h1-3,8,12-14H,4,10H2,(H,11,15).
What are the key properties of 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide?
3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide has a molecular weight of 212.21 g/mol, XLogP of -1.01, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-2-hydroxypropanehydrazide is sourced from PubChem (CID 53245952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).