methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate

C9H17NO2 — CID 59895260

IUPACmethyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyOMZMKRRNWUSSRC-GVHYBUMESA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate

methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate (PubChem CID 59895260) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate
PubChem CID59895260
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyOMZMKRRNWUSSRC-GVHYBUMESA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate (CID 59895260) is methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate is CC[C@@H]1CC(C(=O)OC)N(C)C1.
What is the InChIKey of methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate?
The InChIKey is OMZMKRRNWUSSRC-GVHYBUMESA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate?
methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-ethyl-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 59895260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).