propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate

C8H17NO6 — CID 89005640

IUPACpropan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
SMILESCC(C)OC(=O)COC[C@@H](C)ON(O)O
InChIInChI=1S/C8H17NO6/c1-6(2)14-8(10)5-13-4-7(3)15-9(11)12/h6-7,11-12H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyAWQFEWQTKGAVDD-SSDOTTSWSA-N
MW223.22 g/mol
LogP0.36
Rot. Bonds7

About propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate

propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate (PubChem CID 89005640) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
PubChem CID89005640
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Namepropan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
SMILESCC(C)OC(=O)COC[C@@H](C)ON(O)O
InChIInChI=1S/C8H17NO6/c1-6(2)14-8(10)5-13-4-7(3)15-9(11)12/h6-7,11-12H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyAWQFEWQTKGAVDD-SSDOTTSWSA-N
XLogP0.36
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[2-(dihydroxyamino)oxypropoxy]acetate
CID 89005644
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CID 89005667
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CID 15892945
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 21252463
propan-2-yl 2-(3,3,3-trifluoropropoxy)acetate
CID 82953795
5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
CID 89005665
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
propan-2-yl 2-phenoxyacetate
CID 11367560
propan-2-yl 2-(fluoroamino)acetate
CID 89108971
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CID 2791913

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?
The IUPAC name of propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate (CID 89005640) is propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?
The canonical SMILES for propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate is CC(C)OC(=O)COC[C@@H](C)ON(O)O.
What is the InChIKey of propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?
The InChIKey is AWQFEWQTKGAVDD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO6/c1-6(2)14-8(10)5-13-4-7(3)15-9(11)12/h6-7,11-12H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?
propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate has a molecular weight of 223.22 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate is sourced from PubChem (CID 89005640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).