methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate

C8H15NO3 — CID 131631962

IUPACmethyl 4-methoxy-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(OC)CN1
InChIInChI=1S/C8H15NO3/c1-8(7(10)12-3)4-6(11-2)5-9-8/h6,9H,4-5H2,1-3H3
InChIKeyHFQNIMCOHKYHAC-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds2

About methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate

methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate (PubChem CID 131631962) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-methylpyrrolidine-2-carboxylate
PubChem CID131631962
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-methoxy-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(OC)CN1
InChIInChI=1S/C8H15NO3/c1-8(7(10)12-3)4-6(11-2)5-9-8/h6,9H,4-5H2,1-3H3
InChIKeyHFQNIMCOHKYHAC-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate (CID 131631962) is methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate is COC(=O)C1(C)CC(OC)CN1.
What is the InChIKey of methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate?
The InChIKey is HFQNIMCOHKYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(7(10)12-3)4-6(11-2)5-9-8/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate?
methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131631962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).