(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide

C17H31NO6 — CID 138523365

IUPAC(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide
SMILESCCCCCCCCCCCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H31NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h12-15,19-21H,2-11H2,1H3,(H,18,22)/t12-,13+,14-,15+/m1/s1
InChIKeyUGOQEEVPVCJQSQ-BARDWOONSA-N
MW345.44 g/mol
LogP0.64
Rot. Bonds12

About (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide

(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide (PubChem CID 138523365) has the molecular formula C17H31NO6 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide
PubChem CID138523365
Molecular FormulaC17H31NO6
Molecular Weight345.44 g/mol
Exact Mass345.22
IUPAC Name(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide
SMILESCCCCCCCCCCCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H31NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h12-15,19-21H,2-11H2,1H3,(H,18,22)/t12-,13+,14-,15+/m1/s1
InChIKeyUGOQEEVPVCJQSQ-BARDWOONSA-N
XLogP0.64
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-tetradecylacetamide
CID 138523292
(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
CID 10497774
(2S)-N-(4-aminobutyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
CID 10563404
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-N-ethyl-2-hydroxyacetamide
CID 138531918
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide
CID 175017982
tetradecyl 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 146197114
N-hexyl-2-hydroxy-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 134517851
(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 91825577
(2R)-2-[(2R,3R,4S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-heptyl-2-hydroxyacetamide
CID 129449637
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
(3R,4R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 10103714
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide?
The IUPAC name of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide (CID 138523365) is (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide.
What is the SMILES notation for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide?
The canonical SMILES for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide is CCCCCCCCCCCNC(=O)[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide?
The InChIKey is UGOQEEVPVCJQSQ-BARDWOONSA-N. The full InChI is InChI=1S/C17H31NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h12-15,19-21H,2-11H2,1H3,(H,18,22)/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide?
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide has a molecular weight of 345.44 g/mol, XLogP of 0.64, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undecylacetamide is sourced from PubChem (CID 138523365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).