(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol

C10H19NO2 — CID 142089410

IUPAC(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol
SMILESC=CCC[C@H]1C[C@@H](O)C[C@@H](CN)O1
InChIInChI=1S/C10H19NO2/c1-2-3-4-9-5-8(12)6-10(7-11)13-9/h2,8-10,12H,1,3-7,11H2/t8-,9+,10+/m1/s1
InChIKeyJAPVFUJLETYCGH-UTLUCORTSA-N
MW185.27 g/mol
LogP0.82
Rot. Bonds4

About (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol

(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol (PubChem CID 142089410) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol
PubChem CID142089410
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol
SMILESC=CCC[C@H]1C[C@@H](O)C[C@@H](CN)O1
InChIInChI=1S/C10H19NO2/c1-2-3-4-9-5-8(12)6-10(7-11)13-9/h2,8-10,12H,1,3-7,11H2/t8-,9+,10+/m1/s1
InChIKeyJAPVFUJLETYCGH-UTLUCORTSA-N
XLogP0.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol?
The IUPAC name of (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol (CID 142089410) is (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol?
The canonical SMILES for (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol is C=CCC[C@H]1C[C@@H](O)C[C@@H](CN)O1.
What is the InChIKey of (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol?
The InChIKey is JAPVFUJLETYCGH-UTLUCORTSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-9-5-8(12)6-10(7-11)13-9/h2,8-10,12H,1,3-7,11H2/t8-,9+,10+/m1/s1.
What are the key properties of (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol?
(2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol has a molecular weight of 185.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-(aminomethyl)-6-but-3-enyloxan-4-ol is sourced from PubChem (CID 142089410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).