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

C13H23NO2 — CID 81002802

IUPACtert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CC1CC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-4-8-14(11)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyNJKTUZFWCSOHJX-LLVKDONJSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

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

tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate (PubChem CID 81002802) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
PubChem CID81002802
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CC1CC1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-4-8-14(11)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyNJKTUZFWCSOHJX-LLVKDONJSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate (CID 81002802) is tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1CC1CC1.
What is the InChIKey of tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is NJKTUZFWCSOHJX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-5-4-8-14(11)9-10-6-7-10/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81002802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).