(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-4-hydroxyoxan-2-one
CID 20679563
(4R)-4-(aminomethyl)oxetan-2-one
CID 20656326
acetylene;(4S)-4-hydroxy-6-(hydroxymethyl)oxan-2-one;hydrate
CID 143206459
(4R,6S)-6-(aminomethyl)-4-nitrosooxan-2-one
CID 89255010
(4R)-4-hydroxy-6-[(3S)-3-methylpentyl]oxan-2-one
CID 67585850
6-(3,3-dimethylhexyl)-4-hydroxyoxan-2-one
CID 126657431
2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
CID 25211441
(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
CID 162995378
(4S,6S)-6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one
CID 67708270
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
6-(dimethoxymethyl)-4-hydroxyoxan-2-one
CID 22909990
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961

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).