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

C7H15NO3 — CID 135019198

IUPAC(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNCCO
InChIInChI=1S/C7H15NO3/c1-2-6(10)7(11)5-8-3-4-9/h2,6-11H,1,3-5H2/t6-,7+/m0/s1
InChIKeyYQZDXYZORYIKEC-NKWVEPMBSA-N
MW161.20 g/mol
LogP-1.52
Rot. Bonds6

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

(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol (PubChem CID 135019198) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol
PubChem CID135019198
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNCCO
InChIInChI=1S/C7H15NO3/c1-2-6(10)7(11)5-8-3-4-9/h2,6-11H,1,3-5H2/t6-,7+/m0/s1
InChIKeyYQZDXYZORYIKEC-NKWVEPMBSA-N
XLogP-1.52
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2-hydroxyethylamino)pent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol (CID 135019198) is (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol is C=C[C@H](O)[C@H](O)CNCCO.
What is the InChIKey of (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol?
The InChIKey is YQZDXYZORYIKEC-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-6(10)7(11)5-8-3-4-9/h2,6-11H,1,3-5H2/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol?
(2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol has a molecular weight of 161.20 g/mol, XLogP of -1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(2-hydroxyethylamino)pent-4-ene-2,3-diol is sourced from PubChem (CID 135019198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).