tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate

C15H28N2O3 — CID 70050480

IUPACtert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)8-9-16-13(18)12-7-6-10-17(12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyBBNDXKRYDVONPA-GFCCVEGCSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 70050480) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID70050480
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)8-9-16-13(18)12-7-6-10-17(12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeyBBNDXKRYDVONPA-GFCCVEGCSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate (CID 70050480) is tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is BBNDXKRYDVONPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)8-9-16-13(18)12-7-6-10-17(12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70050480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).