hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate

C10H14N2O4 — CID 66337477

IUPAChydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
SMILESNNOC(=O)CCOc1cccc(CO)c1
InChIInChI=1S/C10H14N2O4/c11-12-16-10(14)4-5-15-9-3-1-2-8(6-9)7-13/h1-3,6,12-13H,4-5,7,11H2
InChIKeyIYSYRTUSCUVVHC-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.13
Rot. Bonds6

About hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate

hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate (PubChem CID 66337477) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
PubChem CID66337477
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namehydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate
SMILESNNOC(=O)CCOc1cccc(CO)c1
InChIInChI=1S/C10H14N2O4/c11-12-16-10(14)4-5-15-9-3-1-2-8(6-9)7-13/h1-3,6,12-13H,4-5,7,11H2
InChIKeyIYSYRTUSCUVVHC-UHFFFAOYSA-N
XLogP-0.13
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
hydrazinyl 3-[3-(diethylamino)phenoxy]propanoate
CID 66338016
2-[3-(hydroxymethyl)phenoxy]ethyl carbamate
CID 175060883
hydrazinyl 3-(2,3-dihydro-1H-inden-5-yloxy)propanoate
CID 66337101
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate?
The IUPAC name of hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate (CID 66337477) is hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate is NNOC(=O)CCOc1cccc(CO)c1.
What is the InChIKey of hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate?
The InChIKey is IYSYRTUSCUVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-12-16-10(14)4-5-15-9-3-1-2-8(6-9)7-13/h1-3,6,12-13H,4-5,7,11H2.
What are the key properties of hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate?
hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate has a molecular weight of 226.23 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[3-(hydroxymethyl)phenoxy]propanoate is sourced from PubChem (CID 66337477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).