(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine

C7H16N2O2 — CID 130949398

IUPAC(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine
SMILESCO[C@H]1C[C@H](N)[C@@H]([C@H](C)N)O1
InChIInChI=1S/C7H16N2O2/c1-4(8)7-5(9)3-6(10-2)11-7/h4-7H,3,8-9H2,1-2H3/t4-,5-,6+,7+/m0/s1
InChIKeyAIJYQEJXLFWWIW-VWDOSNQTSA-N
MW160.22 g/mol
LogP-0.58
Rot. Bonds2

About (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine

(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine (PubChem CID 130949398) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine
PubChem CID130949398
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine
SMILESCO[C@H]1C[C@H](N)[C@@H]([C@H](C)N)O1
InChIInChI=1S/C7H16N2O2/c1-4(8)7-5(9)3-6(10-2)11-7/h4-7H,3,8-9H2,1-2H3/t4-,5-,6+,7+/m0/s1
InChIKeyAIJYQEJXLFWWIW-VWDOSNQTSA-N
XLogP-0.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine with MolForge

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Related Compounds

(1R)-1-[(2R,3R,5R)-3-amino-5-methoxyoxolan-2-yl]ethanol
CID 131124380
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2R,3S,5R)-2-(aminomethyl)-5-methoxyoxolan-3-amine
CID 131848824
(2R,3R,5R)-5-methoxy-2-[(1R)-1-methoxyethyl]oxolan-3-ol
CID 15927279
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
methyl (2S)-2-[(2S,3R,4R)-4-hydroxy-6-methoxy-3-methyloxan-2-yl]propanoate
CID 102254197
(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
CID 55289944
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine?
The IUPAC name of (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine (CID 130949398) is (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine.
What is the SMILES notation for (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine?
The canonical SMILES for (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine is CO[C@H]1C[C@H](N)[C@@H]([C@H](C)N)O1.
What is the InChIKey of (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine?
The InChIKey is AIJYQEJXLFWWIW-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4(8)7-5(9)3-6(10-2)11-7/h4-7H,3,8-9H2,1-2H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine?
(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine has a molecular weight of 160.22 g/mol, XLogP of -0.58, 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-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine is sourced from PubChem (CID 130949398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).