2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate

C11H21NO3 — CID 103939543

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
SMILESCC(C)(C)OCCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-8-7-14-10(13)9-5-4-6-12-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyUIVPZSNAHCCSCZ-SECBINFHSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate (PubChem CID 103939543) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
PubChem CID103939543
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
SMILESCC(C)(C)OCCOC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-8-7-14-10(13)9-5-4-6-12-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyUIVPZSNAHCCSCZ-SECBINFHSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
propyl piperidine-2-carboxylate
CID 43248024
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
heptyl pyrrolidine-2-carboxylate
CID 14777077
(3-methoxy-3-methylbutyl) (2S)-piperidine-2-carboxylate
CID 106665968
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate (CID 103939543) is 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate is CC(C)(C)OCCOC(=O)[C@H]1CCCN1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate?
The InChIKey is UIVPZSNAHCCSCZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-8-7-14-10(13)9-5-4-6-12-9/h9,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 103939543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).