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

C8H17NO2 — CID 15932901

IUPAC(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol
SMILESC=C[C@H](NC(C)C)[C@@H](O)CO
InChIInChI=1S/C8H17NO2/c1-4-7(8(11)5-10)9-6(2)3/h4,6-11H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyJHBHABSFHONPJS-YUMQZZPRSA-N
MW159.23 g/mol
LogP-0.11
Rot. Bonds5

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

(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol (PubChem CID 15932901) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol
PubChem CID15932901
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol
SMILESC=C[C@H](NC(C)C)[C@@H](O)CO
InChIInChI=1S/C8H17NO2/c1-4-7(8(11)5-10)9-6(2)3/h4,6-11H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyJHBHABSFHONPJS-YUMQZZPRSA-N
XLogP-0.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
(2R,3R)-butane-1,2,3-triol
CID 6398419
3-prop-2-enoxybutane-1,2-diol
CID 14859753
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
1-(propan-2-ylamino)propan-1-ol
CID 20572331
hexane-1,2,3,4,5,6-hexol;propane-1,2,3-triol;prop-1-ene
CID 137407804

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol?
The IUPAC name of (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol (CID 15932901) is (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol.
What is the SMILES notation for (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol?
The canonical SMILES for (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol is C=C[C@H](NC(C)C)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol?
The InChIKey is JHBHABSFHONPJS-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(8(11)5-10)9-6(2)3/h4,6-11H,1,5H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol?
(2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(propan-2-ylamino)pent-4-ene-1,2-diol is sourced from PubChem (CID 15932901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).