(2S)-5-amino-2-(hydroxymethyl)oxan-4-one

C6H11NO3 — CID 46862807

IUPAC(2S)-5-amino-2-(hydroxymethyl)oxan-4-one
SMILESNC1CO[C@H](CO)CC1=O
InChIInChI=1S/C6H11NO3/c7-5-3-10-4(2-8)1-6(5)9/h4-5,8H,1-3,7H2/t4-,5?/m0/s1
InChIKeyWBUVRLKDRKTOQE-ROLXFIACSA-N
MW145.16 g/mol
LogP-1.34
Rot. Bonds1

About (2S)-5-amino-2-(hydroxymethyl)oxan-4-one

(2S)-5-amino-2-(hydroxymethyl)oxan-4-one (PubChem CID 46862807) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-5-amino-2-(hydroxymethyl)oxan-4-one.

Molecular Properties

Compound Name(2S)-5-amino-2-(hydroxymethyl)oxan-4-one
PubChem CID46862807
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S)-5-amino-2-(hydroxymethyl)oxan-4-one
SMILESNC1CO[C@H](CO)CC1=O
InChIInChI=1S/C6H11NO3/c7-5-3-10-4(2-8)1-6(5)9/h4-5,8H,1-3,7H2/t4-,5?/m0/s1
InChIKeyWBUVRLKDRKTOQE-ROLXFIACSA-N
XLogP-1.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(hydroxymethyl)oxan-4-one?
The IUPAC name of (2S)-5-amino-2-(hydroxymethyl)oxan-4-one (CID 46862807) is (2S)-5-amino-2-(hydroxymethyl)oxan-4-one.
What is the SMILES notation for (2S)-5-amino-2-(hydroxymethyl)oxan-4-one?
The canonical SMILES for (2S)-5-amino-2-(hydroxymethyl)oxan-4-one is NC1CO[C@H](CO)CC1=O.
What is the InChIKey of (2S)-5-amino-2-(hydroxymethyl)oxan-4-one?
The InChIKey is WBUVRLKDRKTOQE-ROLXFIACSA-N. The full InChI is InChI=1S/C6H11NO3/c7-5-3-10-4(2-8)1-6(5)9/h4-5,8H,1-3,7H2/t4-,5?/m0/s1.
What are the key properties of (2S)-5-amino-2-(hydroxymethyl)oxan-4-one?
(2S)-5-amino-2-(hydroxymethyl)oxan-4-one has a molecular weight of 145.16 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(hydroxymethyl)oxan-4-one is sourced from PubChem (CID 46862807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).