2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide

C11H17N3O4 — CID 170828919

IUPAC2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
SMILESNCC(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C11H17N3O4/c12-5-8(15)11(17)7-3-1-2-4-9(7)18-6-10(16)14-13/h1-4,8,11,15,17H,5-6,12-13H2,(H,14,16)
InChIKeyWAEMWTARAHIGRA-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.59
Rot. Bonds6

About 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide

2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide (PubChem CID 170828919) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
PubChem CID170828919
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
SMILESNCC(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C11H17N3O4/c12-5-8(15)11(17)7-3-1-2-4-9(7)18-6-10(16)14-13/h1-4,8,11,15,17H,5-6,12-13H2,(H,14,16)
InChIKeyWAEMWTARAHIGRA-UHFFFAOYSA-N
XLogP-1.59
TPSA130.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide
CID 171858840
2-[2-(4-chloro-1,2-dihydroxybutyl)phenoxy]acetohydrazide
CID 171894702
3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
CID 170824858
methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171864955
2-[2-(1,2-dihydroxy-3-sulfanylpropyl)phenoxy]acetic acid
CID 170820478
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
CID 169464346
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide?
The IUPAC name of 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide (CID 170828919) is 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide is NCC(O)C(O)c1ccccc1OCC(=O)NN.
What is the InChIKey of 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide?
The InChIKey is WAEMWTARAHIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-5-8(15)11(17)7-3-1-2-4-9(7)18-6-10(16)14-13/h1-4,8,11,15,17H,5-6,12-13H2,(H,14,16).
What are the key properties of 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide?
2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide has a molecular weight of 255.27 g/mol, XLogP of -1.59, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide is sourced from PubChem (CID 170828919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).