N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

C13H26N2O4 — CID 75367077

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26N2O4/c1-13(2,3)8-15-9-6-19-10(12(9)17)5-14-11(16)7-18-4/h9-10,12,15,17H,5-8H2,1-4H3,(H,14,16)/t9-,10-,12+/m1/s1
InChIKeyIKKDKQDJGLXWPM-FOGDFJRCSA-N
MW274.36 g/mol
LogP-0.49
Rot. Bonds6

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75367077) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75367077
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26N2O4/c1-13(2,3)8-15-9-6-19-10(12(9)17)5-14-11(16)7-18-4/h9-10,12,15,17H,5-8H2,1-4H3,(H,14,16)/t9-,10-,12+/m1/s1
InChIKeyIKKDKQDJGLXWPM-FOGDFJRCSA-N
XLogP-0.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75367077) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is IKKDKQDJGLXWPM-FOGDFJRCSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)8-15-9-6-19-10(12(9)17)5-14-11(16)7-18-4/h9-10,12,15,17H,5-8H2,1-4H3,(H,14,16)/t9-,10-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 274.36 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75367077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).