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

C9H17NO3 — CID 118577568

IUPAC3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1
InChIKeyZGUZUQVQUIZGGC-WTIBDHCWSA-N
MW187.24 g/mol
LogP0.47
Rot. Bonds4

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

3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid (PubChem CID 118577568) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
PubChem CID118577568
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
SMILESCOC(C(C)C(=O)O)[C@@H]1CCCN1
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1
InChIKeyZGUZUQVQUIZGGC-WTIBDHCWSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methoxy-2-methyl-3-[(2R)-pyrrolidin-2-yl]propanoic acid;hydrochloride
CID 138958295
(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 118577691
(2S,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 169449920
(3R,4R)-1-benzylsulfonyl-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 147728581
(2R,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide;2,2,2-trifluoroacetic acid
CID 174987095
(2R,3R)-N-[(E,2R,3S)-4-ethenyl-3-hydroxyhept-4-en-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 145321333
(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
CID 70810642
(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one
CID 157271194
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393
tert-butyl (2R,5R,6R)-2-benzyl-6-methoxy-5-methyl-4-oxo-6-[(2S)-pyrrolidin-2-yl]hexanoate
CID 157260915
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid (CID 118577568) is 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid is COC(C(C)C(=O)O)[C@@H]1CCCN1.
What is the InChIKey of 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
The InChIKey is ZGUZUQVQUIZGGC-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6?,7-,8?/m0/s1.
What are the key properties of 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid?
3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 118577568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).