(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one

C6H11NO3 — CID 89253669

IUPAC(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one
SMILESNC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C6H11NO3/c7-3-5-1-4(8)2-6(9)10-5/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyBDKLDFDTSHHVID-UHNVWZDZSA-N
MW145.16 g/mol
LogP-0.99
Rot. Bonds1

About (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one

(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one (PubChem CID 89253669) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one
PubChem CID89253669
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one
SMILESNC[C@@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C6H11NO3/c7-3-5-1-4(8)2-6(9)10-5/h4-5,8H,1-3,7H2/t4-,5+/m1/s1
InChIKeyBDKLDFDTSHHVID-UHNVWZDZSA-N
XLogP-0.99
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 ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one?
The IUPAC name of (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one (CID 89253669) is (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one.
What is the SMILES notation for (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one?
The canonical SMILES for (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one is NC[C@@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one?
The InChIKey is BDKLDFDTSHHVID-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO3/c7-3-5-1-4(8)2-6(9)10-5/h4-5,8H,1-3,7H2/t4-,5+/m1/s1.
What are the key properties of (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one?
(4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-(aminomethyl)-4-hydroxyoxan-2-one is sourced from PubChem (CID 89253669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).