5-amino-3-(methylamino)oxolane-2,4-diol

C5H12N2O3 — CID 123760339

IUPAC5-amino-3-(methylamino)oxolane-2,4-diol
SMILESCNC1C(O)OC(N)C1O
InChIInChI=1S/C5H12N2O3/c1-7-2-3(8)4(6)10-5(2)9/h2-5,7-9H,6H2,1H3
InChIKeyFIEGTWQCTLEPLW-UHFFFAOYSA-N
MW148.16 g/mol
LogP-2.43
Rot. Bonds1

About 5-amino-3-(methylamino)oxolane-2,4-diol

5-amino-3-(methylamino)oxolane-2,4-diol (PubChem CID 123760339) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-amino-3-(methylamino)oxolane-2,4-diol.

Molecular Properties

Compound Name5-amino-3-(methylamino)oxolane-2,4-diol
PubChem CID123760339
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name5-amino-3-(methylamino)oxolane-2,4-diol
SMILESCNC1C(O)OC(N)C1O
InChIInChI=1S/C5H12N2O3/c1-7-2-3(8)4(6)10-5(2)9/h2-5,7-9H,6H2,1H3
InChIKeyFIEGTWQCTLEPLW-UHFFFAOYSA-N
XLogP-2.43
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R,6S)-6-aminooxane-2,3,4,5-tetrol
CID 134274851
(3S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 148734988
(3R,4R,5S)-5-[(1R)-1-hydroxyethyl]-3-(methylamino)oxolane-2,4-diol
CID 130834784
(6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 163828593
(2R,3S,4R,5R,6R)-6-amino-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
CID 90657093
6-(methoxymethyl)-3-(methylamino)oxane-2,4,5-triol
CID 123282538
2-hydroxy-2-[(2S,3S,4R,5R)-3,4,6-trihydroxy-5-(methylamino)oxan-2-yl]ethenone
CID 176521588
(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
2-amino-6-methyloxane-3,4,5-triol
CID 4218932
3,4,5-triaminooxolan-2-ol
CID 163447775
3,5-dihydroxy-4-(methylamino)oxolane-2-carbaldehyde;4,5-dihydroxy-3-(methylamino)oxolane-2-carbaldehyde;3,4,6-trihydroxy-5-(methylamino)oxane-2-carbaldehyde;3,5,6-trihydroxy-4-(methylamino)oxane-2-carbaldehyde;4,5,6-trihydroxy-3-(methylamino)oxane-2-carbaldehyde
CID 167712723
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(methylamino)oxolane-2,4-diol?
The IUPAC name of 5-amino-3-(methylamino)oxolane-2,4-diol (CID 123760339) is 5-amino-3-(methylamino)oxolane-2,4-diol.
What is the SMILES notation for 5-amino-3-(methylamino)oxolane-2,4-diol?
The canonical SMILES for 5-amino-3-(methylamino)oxolane-2,4-diol is CNC1C(O)OC(N)C1O.
What is the InChIKey of 5-amino-3-(methylamino)oxolane-2,4-diol?
The InChIKey is FIEGTWQCTLEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-7-2-3(8)4(6)10-5(2)9/h2-5,7-9H,6H2,1H3.
What are the key properties of 5-amino-3-(methylamino)oxolane-2,4-diol?
5-amino-3-(methylamino)oxolane-2,4-diol has a molecular weight of 148.16 g/mol, XLogP of -2.43, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(methylamino)oxolane-2,4-diol is sourced from PubChem (CID 123760339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).