tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate

C15H29NO2 — CID 113415029

IUPACtert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H29NO2/c1-11(13(17)18-15(5,6)7)16-9-8-12(10-16)14(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeyVWFKDJJRLMGBGL-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.08
Rot. Bonds2

About tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate

tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate (PubChem CID 113415029) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
PubChem CID113415029
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
SMILESCC(C(=O)OC(C)(C)C)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H29NO2/c1-11(13(17)18-15(5,6)7)16-9-8-12(10-16)14(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeyVWFKDJJRLMGBGL-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688615
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
tert-butyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199990
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
CID 66338891
tert-butyl 2-(4,4-dimethylazepan-1-yl)propanoate
CID 65438547
tert-butyl 2-(1,4-oxazepan-4-yl)propanoate
CID 64687533
tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
CID 64688531
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629
tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
CID 169290062
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
3-amino-1-(3-tert-butylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 106113674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate (CID 113415029) is tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate is CC(C(=O)OC(C)(C)C)N1CCC(C(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate?
The InChIKey is VWFKDJJRLMGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(13(17)18-15(5,6)7)16-9-8-12(10-16)14(2,3)4/h11-12H,8-10H2,1-7H3.
What are the key properties of tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate?
tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate has a molecular weight of 255.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 113415029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).