(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol

C8H17NO4 — CID 174012742

IUPAC(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol
SMILESCCCOC1O[C@@H](C)C(NO)C1O
InChIInChI=1S/C8H17NO4/c1-3-4-12-8-7(10)6(9-11)5(2)13-8/h5-11H,3-4H2,1-2H3/t5-,6?,7?,8?/m0/s1
InChIKeyCPTGXFGRTVCDBV-MBNAKOSBSA-N
MW191.23 g/mol
LogP-0.13
Rot. Bonds4

About (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol

(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol (PubChem CID 174012742) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol.

Molecular Properties

Compound Name(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol
PubChem CID174012742
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol
SMILESCCCOC1O[C@@H](C)C(NO)C1O
InChIInChI=1S/C8H17NO4/c1-3-4-12-8-7(10)6(9-11)5(2)13-8/h5-11H,3-4H2,1-2H3/t5-,6?,7?,8?/m0/s1
InChIKeyCPTGXFGRTVCDBV-MBNAKOSBSA-N
XLogP-0.13
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol?
The IUPAC name of (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol (CID 174012742) is (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol.
What is the SMILES notation for (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol?
The canonical SMILES for (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol is CCCOC1O[C@@H](C)C(NO)C1O.
What is the InChIKey of (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol?
The InChIKey is CPTGXFGRTVCDBV-MBNAKOSBSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-4-12-8-7(10)6(9-11)5(2)13-8/h5-11H,3-4H2,1-2H3/t5-,6?,7?,8?/m0/s1.
What are the key properties of (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol?
(5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol has a molecular weight of 191.23 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(hydroxyamino)-5-methyl-2-propoxyoxolan-3-ol is sourced from PubChem (CID 174012742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).