2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide

C9H21N3O4 — CID 103229676

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
SMILESCOCC(O)CN(C)C(COC)C(=O)NN
InChIInChI=1S/C9H21N3O4/c1-12(4-7(13)5-15-2)8(6-16-3)9(14)11-10/h7-8,13H,4-6,10H2,1-3H3,(H,11,14)
InChIKeyHSCWXVVFXQFJMI-UHFFFAOYSA-N
MW235.28 g/mol
LogP-2.07
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide (PubChem CID 103229676) has the molecular formula C9H21N3O4 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
PubChem CID103229676
Molecular FormulaC9H21N3O4
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
SMILESCOCC(O)CN(C)C(COC)C(=O)NN
InChIInChI=1S/C9H21N3O4/c1-12(4-7(13)5-15-2)8(6-16-3)9(14)11-10/h7-8,13H,4-6,10H2,1-3H3,(H,11,14)
InChIKeyHSCWXVVFXQFJMI-UHFFFAOYSA-N
XLogP-2.07
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
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

3-methoxy-2-[methyl(2-methylpropyl)amino]propanehydrazide
CID 103229498
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
3-methoxy-2-[methyl(3-methylbutyl)amino]propanehydrazide
CID 103229666
2-[2-hydroxyethyl(methyl)amino]-3-methoxypropanehydrazide
CID 103229552
3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 103229534
2-[(1-hydrazinyl-3-methoxy-1-oxopropan-2-yl)-methylamino]-N-methylacetamide
CID 103229508
3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
CID 103229662
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
2-[ethyl(2-methoxyethyl)amino]-3-methoxypropanehydrazide
CID 103229639
2-[3-hydroxypropyl(propan-2-yl)amino]-3-methoxypropanehydrazide
CID 103229681
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide (CID 103229676) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide is COCC(O)CN(C)C(COC)C(=O)NN.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide?
The InChIKey is HSCWXVVFXQFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4/c1-12(4-7(13)5-15-2)8(6-16-3)9(14)11-10/h7-8,13H,4-6,10H2,1-3H3,(H,11,14).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide has a molecular weight of 235.28 g/mol, XLogP of -2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide is sourced from PubChem (CID 103229676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).