2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal

C6H14N2O5 — CID 126603538

IUPAC2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal
SMILESNNC[C@@H](O)[C@H](O)OC(C=O)CO
InChIInChI=1S/C6H14N2O5/c7-8-1-5(11)6(12)13-4(2-9)3-10/h2,4-6,8,10-12H,1,3,7H2/t4?,5-,6-/m1/s1
InChIKeyBMTBRSBOWMAEMG-YSLANXFLSA-N
MW194.19 g/mol
LogP-3.29
Rot. Bonds7

About 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal

2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal (PubChem CID 126603538) has the molecular formula C6H14N2O5 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal.

Molecular Properties

Compound Name2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal
PubChem CID126603538
Molecular FormulaC6H14N2O5
Molecular Weight194.19 g/mol
Exact Mass194.09
IUPAC Name2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal
SMILESNNC[C@@H](O)[C@H](O)OC(C=O)CO
InChIInChI=1S/C6H14N2O5/c7-8-1-5(11)6(12)13-4(2-9)3-10/h2,4-6,8,10-12H,1,3,7H2/t4?,5-,6-/m1/s1
InChIKeyBMTBRSBOWMAEMG-YSLANXFLSA-N
XLogP-3.29
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-3.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal?
The IUPAC name of 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal (CID 126603538) is 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal.
What is the SMILES notation for 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal?
The canonical SMILES for 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal is NNC[C@@H](O)[C@H](O)OC(C=O)CO.
What is the InChIKey of 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal?
The InChIKey is BMTBRSBOWMAEMG-YSLANXFLSA-N. The full InChI is InChI=1S/C6H14N2O5/c7-8-1-5(11)6(12)13-4(2-9)3-10/h2,4-6,8,10-12H,1,3,7H2/t4?,5-,6-/m1/s1.
What are the key properties of 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal?
2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal has a molecular weight of 194.19 g/mol, XLogP of -3.29, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-3-hydrazinyl-1,2-dihydroxypropoxy]-3-hydroxypropanal is sourced from PubChem (CID 126603538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).