tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate

C13H23NO4S — CID 81320304

IUPACtert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C13H23NO4S/c1-13(2,3)18-12(15)11-5-4-8-14(11)19(16,17)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyLSAOLDMVWOBLGJ-LLVKDONJSA-N
MW289.40 g/mol
LogP1.53
Rot. Bonds4

About tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate (PubChem CID 81320304) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
PubChem CID81320304
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Nametert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)CC1CC1
InChIInChI=1S/C13H23NO4S/c1-13(2,3)18-12(15)11-5-4-8-14(11)19(16,17)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyLSAOLDMVWOBLGJ-LLVKDONJSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate (CID 81320304) is tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)CC1CC1.
What is the InChIKey of tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate?
The InChIKey is LSAOLDMVWOBLGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-13(2,3)18-12(15)11-5-4-8-14(11)19(16,17)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate has a molecular weight of 289.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81320304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).