propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate

C11H21NO2 — CID 171394209

IUPACpropan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C(C)C)CCCN1
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-5-7-12-11)10(13)14-9(3)4/h8-9,12H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyKQXQIWWGLYTXRM-LLVKDONJSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate

propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 171394209) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID171394209
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)[C@]1(C(C)C)CCCN1
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-5-7-12-11)10(13)14-9(3)4/h8-9,12H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyKQXQIWWGLYTXRM-LLVKDONJSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leucine-proline anhydride
CID 57275499
Methyl 2-methylpyrrolidine-2-carboxylate
CID 13595679
Tert-butyl 2-methylpyrrolidine-2-carboxylate
CID 13822996
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
propan-2-yl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 91825814
Methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate hydrochloride
CID 155821412
(S)-Methyl 2-methylpyrrolidine-2-carboxylate
CID 10535362
propan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 14178477
Propan-2-yl Pyrrolidine-2-carboxylate
CID 11051913
Methyl 2-propylpyrrolidine-2-carboxylate
CID 77884787
Methyl 4-methoxy-2-methylpyrrolidine-2-carboxylate
CID 131631962
Tert-butyl 2-(methoxymethyl)pyrrolidine-2-carboxylate
CID 134691185

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate (CID 171394209) is propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate is CC(C)OC(=O)[C@]1(C(C)C)CCCN1.
What is the InChIKey of propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is KQXQIWWGLYTXRM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(6-5-7-12-11)10(13)14-9(3)4/h8-9,12H,5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate?
propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 171394209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).