(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol

C6H13NO2 — CID 46933718

IUPAC(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNC
InChIInChI=1S/C6H13NO2/c1-3-5(8)6(9)4-7-2/h3,5-9H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyWLEDKHMRXFXNIF-NTSWFWBYSA-N
MW131.17 g/mol
LogP-0.89
Rot. Bonds4

About (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol

(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol (PubChem CID 46933718) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
PubChem CID46933718
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNC
InChIInChI=1S/C6H13NO2/c1-3-5(8)6(9)4-7-2/h3,5-9H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyWLEDKHMRXFXNIF-NTSWFWBYSA-N
XLogP-0.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
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 (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol (CID 46933718) is (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol is C=C[C@H](O)[C@H](O)CNC.
What is the InChIKey of (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol?
The InChIKey is WLEDKHMRXFXNIF-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(8)6(9)4-7-2/h3,5-9H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol?
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol has a molecular weight of 131.17 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(methylamino)pent-4-ene-2,3-diol is sourced from PubChem (CID 46933718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).