(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide

C16H30N2O6 — CID 10497774

IUPAC(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
SMILESNCCCCCCCCCCNC(=O)[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H30N2O6/c17-9-7-5-3-1-2-4-6-8-10-18-15(22)13(21)14-11(19)12(20)16(23)24-14/h11-14,19-21H,1-10,17H2,(H,18,22)/t11-,12-,13+,14+/m1/s1
InChIKeySSWQVADDQKQMIS-MQYQWHSLSA-N
MW346.42 g/mol
LogP-0.81
Rot. Bonds12

About (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide

(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide (PubChem CID 10497774) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
PubChem CID10497774
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide
SMILESNCCCCCCCCCCNC(=O)[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H30N2O6/c17-9-7-5-3-1-2-4-6-8-10-18-15(22)13(21)14-11(19)12(20)16(23)24-14/h11-14,19-21H,1-10,17H2,(H,18,22)/t11-,12-,13+,14+/m1/s1
InChIKeySSWQVADDQKQMIS-MQYQWHSLSA-N
XLogP-0.81
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide (CID 10497774) is (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide is NCCCCCCCCCCNC(=O)[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide?
The InChIKey is SSWQVADDQKQMIS-MQYQWHSLSA-N. The full InChI is InChI=1S/C16H30N2O6/c17-9-7-5-3-1-2-4-6-8-10-18-15(22)13(21)14-11(19)12(20)16(23)24-14/h11-14,19-21H,1-10,17H2,(H,18,22)/t11-,12-,13+,14+/m1/s1.
What are the key properties of (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide?
(2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide has a molecular weight of 346.42 g/mol, XLogP of -0.81, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(10-aminodecyl)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 10497774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).