3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid

C10H19NO3 — CID 59974251

IUPAC3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1C
InChIInChI=1S/C10H19NO3/c1-7(10(12)13)9(14-3)8-5-4-6-11(8)2/h7-9H,4-6H2,1-3H3,(H,12,13)/t7?,8-,9?/m0/s1
InChIKeyMTZJFPTWKQHMEB-MGURRDGZSA-N
MW201.27 g/mol
LogP0.82
Rot. Bonds4

About 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid

3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid (PubChem CID 59974251) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
PubChem CID59974251
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1C
InChIInChI=1S/C10H19NO3/c1-7(10(12)13)9(14-3)8-5-4-6-11(8)2/h7-9H,4-6H2,1-3H3,(H,12,13)/t7?,8-,9?/m0/s1
InChIKeyMTZJFPTWKQHMEB-MGURRDGZSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-((2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid
CID 11033491
tert-Butyl (S)-2-((1R,2R)-1,3-dimethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 90790440
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 66837220
(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-hydroxy-2-methylpropanoic acid
CID 10659844
N-Boc-dolaproine-methyl
CID 11346731
3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 132187589
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 70981214
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494673
(2R,3R)-3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-methylpropanoic acid
CID 122494704
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 122494705
3-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-hydroxy-2-methylpropanoic acid
CID 132187514
(2R,3R)-3-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 132193466

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid (CID 59974251) is 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid is COC(C(C)C(=O)O)[C@@H]1CCCN1C.
What is the InChIKey of 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid?
The InChIKey is MTZJFPTWKQHMEB-MGURRDGZSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(12)13)9(14-3)8-5-4-6-11(8)2/h7-9H,4-6H2,1-3H3,(H,12,13)/t7?,8-,9?/m0/s1.
What are the key properties of 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid?
3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 59974251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).