3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide

C10H21N2O2+ — CID 59974252

IUPAC3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide
SMILESCNC(=O)C(C)C(OC)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C10H20N2O2/c1-7(10(13)11-2)9(14-3)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3,(H,11,13)/p+1/t7?,8-,9?/m0/s1
InChIKeyLGKOIUOHLWHLMK-MGURRDGZSA-O
MW201.29 g/mol
LogP-0.89
Rot. Bonds4

About 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide

3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide (PubChem CID 59974252) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide
PubChem CID59974252
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide
SMILESCNC(=O)C(C)C(OC)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C10H20N2O2/c1-7(10(13)11-2)9(14-3)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3,(H,11,13)/p+1/t7?,8-,9?/m0/s1
InChIKeyLGKOIUOHLWHLMK-MGURRDGZSA-O
XLogP-0.89
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
[(2R,3R)-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl] butanoate
CID 101649070
(4S,5S)-4-Butyryloxy-5-isobutylpyrrolidin-2-one
CID 11020616
(4S-cis)-4-hydroxy-5-(2-methylpropyl)-2-pyrrolidinone
CID 11768826
(4RS,5RS)-4-Butyryloxy-5-isobutylpyrrolidin-2-one
CID 18963415
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(4S)-3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 54072508
(4R,5S)-5-[(2S)-butan-2-yl]-4-methoxypyrrolidin-2-one
CID 57082702
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxohexan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 58114237
(2R,3R)-3-methoxy-2-methyl-N-[(2S)-3-oxobutan-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide;N-methylpropan-1-amine;tungsten;tungsten(2+)
CID 58114239

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide?
The IUPAC name of 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide (CID 59974252) is 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide.
What is the SMILES notation for 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide?
The canonical SMILES for 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide is CNC(=O)C(C)C(OC)[C@@H]1CCC[NH2+]1.
What is the InChIKey of 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide?
The InChIKey is LGKOIUOHLWHLMK-MGURRDGZSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-7(10(13)11-2)9(14-3)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3,(H,11,13)/p+1/t7?,8-,9?/m0/s1.
What are the key properties of 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide?
3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide has a molecular weight of 201.29 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide is sourced from PubChem (CID 59974252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).