N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H23NO3 — CID 91774191

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@@H]2CCOC[C@H]2O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)10(13(12,3)4)11(16)14-8-5-6-17-7-9(8)15/h8-10,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyOPLUTUYUAOBFOR-RKDXNWHRSA-N
MW241.33 g/mol
LogP0.93
Rot. Bonds2

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 91774191) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID91774191
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@@H]2CCOC[C@H]2O)C1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)10(13(12,3)4)11(16)14-8-5-6-17-7-9(8)15/h8-10,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyOPLUTUYUAOBFOR-RKDXNWHRSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
2-[cyclopentyl(methyl)amino]-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91785853
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
CID 122536495
1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91762806
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 91766537
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-(4-hydrazinyloxan-3-yl)acetamide
CID 123188437
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91781523

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 91774191) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)N[C@@H]2CCOC[C@H]2O)C1(C)C.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is OPLUTUYUAOBFOR-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)10(13(12,3)4)11(16)14-8-5-6-17-7-9(8)15/h8-10,15H,5-7H2,1-4H3,(H,14,16)/t8-,9-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 91774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).