1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate

C11H21NO3 — CID 103488963

IUPAC1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)C1NCCC1C
InChIInChI=1S/C11H21NO3/c1-4-14-7-9(3)15-11(13)10-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyQCUUAMXORPGIOV-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate

1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate (PubChem CID 103488963) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
PubChem CID103488963
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)C1NCCC1C
InChIInChI=1S/C11H21NO3/c1-4-14-7-9(3)15-11(13)10-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyQCUUAMXORPGIOV-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
1-ethoxypropan-2-yl cyclohexanecarboxylate
CID 126603945
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
2-methylpentyl 3-methylpyrrolidine-2-carboxylate
CID 103284116
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
CID 107071163
1-ethoxypropan-2-yl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103489100
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate (CID 103488963) is 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate is CCOCC(C)OC(=O)C1NCCC1C.
What is the InChIKey of 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate?
The InChIKey is QCUUAMXORPGIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-14-7-9(3)15-11(13)10-8(2)5-6-12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate?
1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 103488963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).