(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide

C10H20N2O3 — CID 59885098

IUPAC(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide
SMILESCOC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1
InChIInChI=1S/C10H20N2O3/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2/h6-9,13H,4-5H2,1-3H3,(H2,11,14)/t6-,7?,8-,9?/m0/s1
InChIKeyXJFKNVSVZKXNDF-KJMVCIMSSA-N
MW216.28 g/mol
LogP-0.81
Rot. Bonds4

About (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide

(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide (PubChem CID 59885098) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide
PubChem CID59885098
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide
SMILESCOC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1
InChIInChI=1S/C10H20N2O3/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2/h6-9,13H,4-5H2,1-3H3,(H2,11,14)/t6-,7?,8-,9?/m0/s1
InChIKeyXJFKNVSVZKXNDF-KJMVCIMSSA-N
XLogP-0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-N,2-dimethylpropanamide
CID 59885090
(3S)-4-hydroxy-4-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-3-methylbutan-2-one
CID 59953235
3-methoxy-N,2-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanamide
CID 59974255
(2S,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 117861288
(3S,4R)-3-hydroxy-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylhexanamide
CID 118374753
3-Methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide
CID 123820017
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
Ethane;3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanamide
CID 141852506
3-methoxy-3-[(2S)-1-(3-methoxy-4-methylpentanoyl)pyrrolidin-2-yl]-2-methylpropanamide
CID 144484565
(2R)-3-methoxy-3-[(2S)-1-[(3R)-3-methoxy-4-methylpentanoyl]pyrrolidin-2-yl]-2-methylpropanamide
CID 144484655
(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide
CID 155262966
3-[1-[4-(dimethylamino)-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-N-(2-hydroxyethyl)-3-methoxy-2-methylpropanamide
CID 155418015

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide?
The IUPAC name of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide (CID 59885098) is (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide is COC1C[C@@H](C(O)[C@H](C)C(N)=O)N(C)C1.
What is the InChIKey of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide?
The InChIKey is XJFKNVSVZKXNDF-KJMVCIMSSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(10(11)14)9(13)8-4-7(15-3)5-12(8)2/h6-9,13H,4-5H2,1-3H3,(H2,11,14)/t6-,7?,8-,9?/m0/s1.
What are the key properties of (2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide?
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.81, 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]-2-methylpropanamide is sourced from PubChem (CID 59885098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).