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

C10H19NO3 — CID 118577691

IUPACmethyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCOC(=O)C(C)C(OC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-7(10(12)14-3)9(13-2)8-5-4-6-11-8/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyWUNJYMIULWQVAH-MGURRDGZSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds4

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

methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate (PubChem CID 118577691) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
PubChem CID118577691
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
SMILESCOC(=O)C(C)C(OC)[C@@H]1CCCN1
InChIInChI=1S/C10H19NO3/c1-7(10(12)14-3)9(13-2)8-5-4-6-11-8/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyWUNJYMIULWQVAH-MGURRDGZSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 134516134
3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
CID 118577568
(2R,3S)-3-methoxy-2-methyl-3-[(2R)-pyrrolidin-2-yl]propanoic acid;hydrochloride
CID 138958295
(2S,3R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanamide
CID 169449920
(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)-1-benzylsulfonyl-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 147728581
ethyl (2R,3S)-3-hydroxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 101351583
(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
(3R,4R)-4-methoxy-3-methyl-4-[(2S)-pyrrolidin-2-yl]-1-quinolin-2-ylbutan-2-one
CID 157271194
ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate (CID 118577691) is methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate is COC(=O)C(C)C(OC)[C@@H]1CCCN1.
What is the InChIKey of methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
The InChIKey is WUNJYMIULWQVAH-MGURRDGZSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(12)14-3)9(13-2)8-5-4-6-11-8/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate?
methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoate is sourced from PubChem (CID 118577691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).