(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine

C6H14N2O2 — CID 131848824

IUPAC(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine
SMILESCO[C@H]1C[C@H](N)[C@@H](CN)O1
InChIInChI=1S/C6H14N2O2/c1-9-6-2-4(8)5(3-7)10-6/h4-6H,2-3,7-8H2,1H3/t4-,5+,6+/m0/s1
InChIKeyWQMISXRQMWWXKU-KVQBGUIXSA-N
MW146.19 g/mol
LogP-0.97
Rot. Bonds2

About (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine

(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine (PubChem CID 131848824) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine
PubChem CID131848824
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine
SMILESCO[C@H]1C[C@H](N)[C@@H](CN)O1
InChIInChI=1S/C6H14N2O2/c1-9-6-2-4(8)5(3-7)10-6/h4-6H,2-3,7-8H2,1H3/t4-,5+,6+/m0/s1
InChIKeyWQMISXRQMWWXKU-KVQBGUIXSA-N
XLogP-0.97
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
5-methoxy-2-methyloxolan-3-amine
CID 163994899
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine
CID 130949398
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(1R)-1-[(2R,3R,5R)-3-amino-5-methoxyoxolan-2-yl]ethanol
CID 131124380
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine?
The IUPAC name of (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine (CID 131848824) is (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine.
What is the SMILES notation for (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine?
The canonical SMILES for (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine is CO[C@H]1C[C@H](N)[C@@H](CN)O1.
What is the InChIKey of (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine?
The InChIKey is WQMISXRQMWWXKU-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-9-6-2-4(8)5(3-7)10-6/h4-6H,2-3,7-8H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine?
(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine has a molecular weight of 146.19 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine is sourced from PubChem (CID 131848824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).