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

C8H17NO2 — CID 135040211

IUPAC(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNCCC
InChIInChI=1S/C8H17NO2/c1-3-5-9-6-8(11)7(10)4-2/h4,7-11H,2-3,5-6H2,1H3/t7-,8+/m0/s1
InChIKeyFBBPMGMMVLBGTM-JGVFFNPUSA-N
MW159.23 g/mol
LogP-0.11
Rot. Bonds6

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

(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol (PubChem CID 135040211) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol
PubChem CID135040211
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNCCC
InChIInChI=1S/C8H17NO2/c1-3-5-9-6-8(11)7(10)4-2/h4,7-11H,2-3,5-6H2,1H3/t7-,8+/m0/s1
InChIKeyFBBPMGMMVLBGTM-JGVFFNPUSA-N
XLogP-0.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol (CID 135040211) is (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol is C=C[C@H](O)[C@H](O)CNCCC.
What is the InChIKey of (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol?
The InChIKey is FBBPMGMMVLBGTM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-9-6-8(11)7(10)4-2/h4,7-11H,2-3,5-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol?
(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(propylamino)pent-4-ene-2,3-diol is sourced from PubChem (CID 135040211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).