[2-(oxiran-2-yl)ethylamino]methanetriol

C5H11NO4 — CID 57136424

IUPAC[2-(oxiran-2-yl)ethylamino]methanetriol
SMILESOC(O)(O)NCCC1CO1
InChIInChI=1S/C5H11NO4/c7-5(8,9)6-2-1-4-3-10-4/h4,6-9H,1-3H2
InChIKeyQLHLWMSBCPYWPR-UHFFFAOYSA-N
MW149.15 g/mol
LogP-2.05
Rot. Bonds4

About [2-(oxiran-2-yl)ethylamino]methanetriol

[2-(oxiran-2-yl)ethylamino]methanetriol (PubChem CID 57136424) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is [2-(oxiran-2-yl)ethylamino]methanetriol.

Molecular Properties

Compound Name[2-(oxiran-2-yl)ethylamino]methanetriol
PubChem CID57136424
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name[2-(oxiran-2-yl)ethylamino]methanetriol
SMILESOC(O)(O)NCCC1CO1
InChIInChI=1S/C5H11NO4/c7-5(8,9)6-2-1-4-3-10-4/h4,6-9H,1-3H2
InChIKeyQLHLWMSBCPYWPR-UHFFFAOYSA-N
XLogP-2.05
TPSA85.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxiran-2-yl)ethyl]carbamoyl iodide
CID 126670743
N-[2-(oxiran-2-yl)ethyl]propan-2-amine
CID 142537295
1,1,1-trifluoro-4-(oxiran-2-yl)butan-2-one
CID 158699447
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
propan-2-yl N-[2-(oxiran-2-yl)ethyl]carbamate
CID 91172551
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
1-(methylamino)-5-(oxiran-2-yl)pentan-3-one
CID 165461836
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
1-(oxiran-2-yl)-N-silylmethanamine
CID 154313536
3-(oxiran-2-yl)propanoyl chloride
CID 175059672
(2S)-2,3,3-trimethyl-1-[(2R)-oxiran-2-yl]butan-2-ol
CID 125461857

Frequently Asked Questions

What is the IUPAC name of [2-(oxiran-2-yl)ethylamino]methanetriol?
The IUPAC name of [2-(oxiran-2-yl)ethylamino]methanetriol (CID 57136424) is [2-(oxiran-2-yl)ethylamino]methanetriol.
What is the SMILES notation for [2-(oxiran-2-yl)ethylamino]methanetriol?
The canonical SMILES for [2-(oxiran-2-yl)ethylamino]methanetriol is OC(O)(O)NCCC1CO1.
What is the InChIKey of [2-(oxiran-2-yl)ethylamino]methanetriol?
The InChIKey is QLHLWMSBCPYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-5(8,9)6-2-1-4-3-10-4/h4,6-9H,1-3H2.
What are the key properties of [2-(oxiran-2-yl)ethylamino]methanetriol?
[2-(oxiran-2-yl)ethylamino]methanetriol has a molecular weight of 149.15 g/mol, XLogP of -2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxiran-2-yl)ethylamino]methanetriol is sourced from PubChem (CID 57136424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).