N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide

C10H20N2O3 — CID 103021356

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,15-4)9(14)12(3)7-5-11-6-8(7)13/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyWDYKNCHVEUBGMM-HTQZYQBOSA-N
MW216.28 g/mol
LogP-0.80
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103021356) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide
PubChem CID103021356
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,15-4)9(14)12(3)7-5-11-6-8(7)13/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKeyWDYKNCHVEUBGMM-HTQZYQBOSA-N
XLogP-0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-2-methoxy-N,2-dimethylpropanamide
CID 103022604
ethyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylcarbamate
CID 43596830
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,3-dimethyl-2-propan-2-ylbutanamide
CID 114282302
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-[(1R,2S,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-2-methoxy-N,2-dimethylpropanamide
CID 110127750
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propylpentanamide
CID 82987791
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
3-hydroxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-4-methoxy-N-methylbenzamide
CID 79731785

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide (CID 103021356) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is WDYKNCHVEUBGMM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,15-4)9(14)12(3)7-5-11-6-8(7)13/h7-8,11,13H,5-6H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103021356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).