methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate

C13H23NO3 — CID 116873622

IUPACmethyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1(C2CCN(C)C2)COC1
InChIInChI=1S/C13H23NO3/c1-12(2,11(15)16-4)13(8-17-9-13)10-5-6-14(3)7-10/h10H,5-9H2,1-4H3
InChIKeyPVSNDTYDAGMTHP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate

methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate (PubChem CID 116873622) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
PubChem CID116873622
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1(C2CCN(C)C2)COC1
InChIInChI=1S/C13H23NO3/c1-12(2,11(15)16-4)13(8-17-9-13)10-5-6-14(3)7-10/h10H,5-9H2,1-4H3
InChIKeyPVSNDTYDAGMTHP-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869961
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
CID 116870782
4-(1-tert-butylcyclopropyl)-1-methylpiperidine
CID 118329233
1-methyl-3-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794049
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
methyl 2-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoate
CID 54938793
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate (CID 116873622) is methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate is COC(=O)C(C)(C)C1(C2CCN(C)C2)COC1.
What is the InChIKey of methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate?
The InChIKey is PVSNDTYDAGMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,11(15)16-4)13(8-17-9-13)10-5-6-14(3)7-10/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate?
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate has a molecular weight of 241.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate is sourced from PubChem (CID 116873622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).