N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide

C8H15NO4 — CID 79028059

IUPACN-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
SMILESC[C@H](CO)NC(=O)C1COCCO1
InChIInChI=1S/C8H15NO4/c1-6(4-10)9-8(11)7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyIRZOQKGETAAPTQ-ULUSZKPHSA-N
MW189.21 g/mol
LogP-1.10
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide (PubChem CID 79028059) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
PubChem CID79028059
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
SMILESC[C@H](CO)NC(=O)C1COCCO1
InChIInChI=1S/C8H15NO4/c1-6(4-10)9-8(11)7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyIRZOQKGETAAPTQ-ULUSZKPHSA-N
XLogP-1.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
CID 66175400
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
3-(1,4-dioxane-2-carbonylamino)-4,4,4-trifluorobutanoic acid
CID 146135383
(4S)-3-[(2R)-1,4-dioxane-2-carbonyl]-N-[(2S)-5-methylhexan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 98760987
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
(2R)-2-(1,4-dioxane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 114004692

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide (CID 79028059) is N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide is C[C@H](CO)NC(=O)C1COCCO1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is IRZOQKGETAAPTQ-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(4-10)9-8(11)7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 189.21 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 79028059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).