(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one

C5H10N2O3 — CID 55290895

IUPAC(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one
SMILESN[C@H]1[C@@H](CO)OC(=O)[C@@H]1N
InChIInChI=1S/C5H10N2O3/c6-3-2(1-8)10-5(9)4(3)7/h2-4,8H,1,6-7H2/t2-,3+,4-/m1/s1
InChIKeyPIFLQYVPSWOGAA-FLRLBIABSA-N
MW146.15 g/mol
LogP-2.44
Rot. Bonds1

About (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one

(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one (PubChem CID 55290895) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one
PubChem CID55290895
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one
SMILESN[C@H]1[C@@H](CO)OC(=O)[C@@H]1N
InChIInChI=1S/C5H10N2O3/c6-3-2(1-8)10-5(9)4(3)7/h2-4,8H,1,6-7H2/t2-,3+,4-/m1/s1
InChIKeyPIFLQYVPSWOGAA-FLRLBIABSA-N
XLogP-2.44
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one (CID 55290895) is (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one is N[C@H]1[C@@H](CO)OC(=O)[C@@H]1N.
What is the InChIKey of (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is PIFLQYVPSWOGAA-FLRLBIABSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3-2(1-8)10-5(9)4(3)7/h2-4,8H,1,6-7H2/t2-,3+,4-/m1/s1.
What are the key properties of (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one?
(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 146.15 g/mol, XLogP of -2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 55290895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).