N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide

C8H15NO5 — CID 66175400

IUPACN-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCC(O)CO)C1COCCO1
InChIInChI=1S/C8H15NO5/c10-4-6(11)3-9-8(12)7-5-13-1-2-14-7/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyJDRDJMALZVOBHG-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.13
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide

N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide (PubChem CID 66175400) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
PubChem CID66175400
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
SMILESO=C(NCC(O)CO)C1COCCO1
InChIInChI=1S/C8H15NO5/c10-4-6(11)3-9-8(12)7-5-13-1-2-14-7/h6-7,10-11H,1-5H2,(H,9,12)
InChIKeyJDRDJMALZVOBHG-UHFFFAOYSA-N
XLogP-2.13
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide (CID 66175400) is N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide is O=C(NCC(O)CO)C1COCCO1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide?
The InChIKey is JDRDJMALZVOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-4-6(11)3-9-8(12)7-5-13-1-2-14-7/h6-7,10-11H,1-5H2,(H,9,12).
What are the key properties of N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide?
N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide has a molecular weight of 205.21 g/mol, XLogP of -2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 66175400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).