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

C11H21NO3 — CID 103489015

IUPAC1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)C1(C)CCCN1
InChIInChI=1S/C11H21NO3/c1-4-14-8-9(2)15-10(13)11(3)6-5-7-12-11/h9,12H,4-8H2,1-3H3
InChIKeyATIFKBJULPAXME-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

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

1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate (PubChem CID 103489015) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
PubChem CID103489015
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
SMILESCCOCC(C)OC(=O)C1(C)CCCN1
InChIInChI=1S/C11H21NO3/c1-4-14-8-9(2)15-10(13)11(3)6-5-7-12-11/h9,12H,4-8H2,1-3H3
InChIKeyATIFKBJULPAXME-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
CID 103489080
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
1-ethoxypropan-2-yl 1-amino-4-ethylcyclohexane-1-carboxylate
CID 103489236
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
4-methylpentyl 2-methylpiperidine-2-carboxylate
CID 104597728
2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
1-ethoxypropan-2-ol;1-ethoxypropan-2-yl propanoate
CID 87696301
2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580438
1-ethoxypropan-2-yl 2-(cyclopentylamino)acetate
CID 103489239

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate (CID 103489015) is 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate is CCOCC(C)OC(=O)C1(C)CCCN1.
What is the InChIKey of 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate?
The InChIKey is ATIFKBJULPAXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-14-8-9(2)15-10(13)11(3)6-5-7-12-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate?
1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 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 2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 103489015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).