(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one

C6H11NO3 — CID 163712625

IUPAC(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
SMILESCN[C@@H]1CC(CO)OC1=O
InChIInChI=1S/C6H11NO3/c1-7-5-2-4(3-8)10-6(5)9/h4-5,7-8H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyKKPFAAXRCJRSRG-BRJRFNKRSA-N
MW145.16 g/mol
LogP-1.12
Rot. Bonds2

About (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one

(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one (PubChem CID 163712625) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one.

Molecular Properties

Compound Name(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
PubChem CID163712625
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one
SMILESCN[C@@H]1CC(CO)OC1=O
InChIInChI=1S/C6H11NO3/c1-7-5-2-4(3-8)10-6(5)9/h4-5,7-8H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyKKPFAAXRCJRSRG-BRJRFNKRSA-N
XLogP-1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one?
The IUPAC name of (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one (CID 163712625) is (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one.
What is the SMILES notation for (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one?
The canonical SMILES for (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one is CN[C@@H]1CC(CO)OC1=O.
What is the InChIKey of (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one?
The InChIKey is KKPFAAXRCJRSRG-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-5-2-4(3-8)10-6(5)9/h4-5,7-8H,2-3H2,1H3/t4?,5-/m1/s1.
What are the key properties of (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one?
(3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one has a molecular weight of 145.16 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(hydroxymethyl)-3-(methylamino)oxolan-2-one is sourced from PubChem (CID 163712625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).