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

C5H11NO3 — CID 101063277

IUPAC(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNO
InChIInChI=1S/C5H11NO3/c1-2-4(7)5(8)3-6-9/h2,4-9H,1,3H2/t4-,5+/m0/s1
InChIKeyFSUDJTXFQDOJIF-CRCLSJGQSA-N
MW133.15 g/mol
LogP-1.13
Rot. Bonds4

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

(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol (PubChem CID 101063277) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
PubChem CID101063277
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNO
InChIInChI=1S/C5H11NO3/c1-2-4(7)5(8)3-6-9/h2,4-9H,1,3H2/t4-,5+/m0/s1
InChIKeyFSUDJTXFQDOJIF-CRCLSJGQSA-N
XLogP-1.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(2R,3S)-1-anilinopent-4-ene-2,3-diol
CID 14282993
(2R,3R)-1-(hexadecylamino)pent-4-ene-2,3-diol
CID 127036661
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
1-aminohex-5-ene-2,3,4-triol
CID 75252970
4-ethenylhexa-1,5-dien-3-ol
CID 15402805
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
azane;4-methylpent-1-en-3-ol
CID 175575018
(3S,4R)-4-methyloct-1-en-6-yn-3-ol
CID 91492404

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol (CID 101063277) is (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol is C=C[C@H](O)[C@H](O)CNO.
What is the InChIKey of (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol?
The InChIKey is FSUDJTXFQDOJIF-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-4(7)5(8)3-6-9/h2,4-9H,1,3H2/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol?
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol has a molecular weight of 133.15 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol is sourced from PubChem (CID 101063277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).