2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide

C12H19N3O4 — CID 171858840

IUPAC2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide
SMILESCNCC(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C12H19N3O4/c1-14-6-9(16)12(18)8-4-2-3-5-10(8)19-7-11(17)15-13/h2-5,9,12,14,16,18H,6-7,13H2,1H3,(H,15,17)
InChIKeyYVNHXSNABDZFCI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.33
Rot. Bonds7

About 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide

2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide (PubChem CID 171858840) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide
PubChem CID171858840
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide
SMILESCNCC(O)C(O)c1ccccc1OCC(=O)NN
InChIInChI=1S/C12H19N3O4/c1-14-6-9(16)12(18)8-4-2-3-5-10(8)19-7-11(17)15-13/h2-5,9,12,14,16,18H,6-7,13H2,1H3,(H,15,17)
InChIKeyYVNHXSNABDZFCI-UHFFFAOYSA-N
XLogP-1.33
TPSA116.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.33
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-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
CID 170828919
2-[2-(4-chloro-1,2-dihydroxybutyl)phenoxy]acetohydrazide
CID 171894702
methyl 3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171864955
3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]-2,3-dihydroxypropanoic acid
CID 170824858
2-[1,2-dihydroxy-3-(methylamino)propyl]-6-methoxybenzoic acid
CID 171858557
methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
CID 171857210
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
2-[2-(1,2-dihydroxy-3-sulfanylpropyl)phenoxy]acetic acid
CID 170820478
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide?
The IUPAC name of 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide (CID 171858840) is 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide is CNCC(O)C(O)c1ccccc1OCC(=O)NN.
What is the InChIKey of 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide?
The InChIKey is YVNHXSNABDZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-14-6-9(16)12(18)8-4-2-3-5-10(8)19-7-11(17)15-13/h2-5,9,12,14,16,18H,6-7,13H2,1H3,(H,15,17).
What are the key properties of 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide?
2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide has a molecular weight of 269.30 g/mol, XLogP of -1.33, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,2-dihydroxy-3-(methylamino)propyl]phenoxy]acetohydrazide is sourced from PubChem (CID 171858840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).