(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide

C11H22N2O3 — CID 59885090

IUPAC(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H22N2O3/c1-7(11(15)12-2)10(14)9-5-8(16-4)6-13(9)3/h7-10,14H,5-6H2,1-4H3,(H,12,15)/t7-,8?,9-,10?/m0/s1
InChIKeyPZHIILCPORMSQK-FMLYDFSMSA-N
MW230.31 g/mol
LogP-0.55
Rot. Bonds4

About (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide

(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide (PubChem CID 59885090) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide
PubChem CID59885090
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)C(O)[C@@H]1CC(OC)CN1C
InChIInChI=1S/C11H22N2O3/c1-7(11(15)12-2)10(14)9-5-8(16-4)6-13(9)3/h7-10,14H,5-6H2,1-4H3,(H,12,15)/t7-,8?,9-,10?/m0/s1
InChIKeyPZHIILCPORMSQK-FMLYDFSMSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
(4S-cis)-4-hydroxy-5-(2-methylpropyl)-2-pyrrolidinone
CID 11768826
1-[(2S,4R)-4-hydroxy-2-(methoxymethyl)pyrrolidin-1-yl]-7-(methylamino)heptan-1-one
CID 57901121
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide
CID 59885098
3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-1-ium-2-yl]propanamide
CID 59974252
3-methoxy-N,2-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 59974255
(4S)-4-hydroxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 67946015
(2S)-2-[(1R)-3-[2-(dimethylamino)ethylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 70009879
(2S)-2-[(1R)-3-[3-(dimethylamino)propylamino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylic acid
CID 70010386
(2R,3R)-3-methoxy-N,2-dimethyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 90069427
(2S,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 117861288

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide (CID 59885090) is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)C(O)[C@@H]1CC(OC)CN1C.
What is the InChIKey of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide?
The InChIKey is PZHIILCPORMSQK-FMLYDFSMSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(11(15)12-2)10(14)9-5-8(16-4)6-13(9)3/h7-10,14H,5-6H2,1-4H3,(H,12,15)/t7-,8?,9-,10?/m0/s1.
What are the key properties of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide?
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 59885090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).