tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate

C14H26N2O3 — CID 171505314

IUPACtert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11(17)15-10-7-8-16(9-10)12(18)19-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyUMBCAAAZHFLZKQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate

tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate (PubChem CID 171505314) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
PubChem CID171505314
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)11(17)15-10-7-8-16(9-10)12(18)19-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyUMBCAAAZHFLZKQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]pyrrolidine-1-carboxylate
CID 167022048
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl (3R)-3-[(4-cycloheptylcyclohexanecarbonyl)amino]pyrrolidine-1-carboxylate
CID 139459619
tert-butyl (3R)-3-[[2-(4-cyclononylcyclohexyl)acetyl]amino]pyrrolidine-1-carboxylate
CID 166956086
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 4-(2,2,3-trimethylbut-3-enoylamino)piperidine-1-carboxylate
CID 126819529
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 3-[(2,6-dimethylpiperidin-1-yl)amino]pyrrolidine-1-carboxylate
CID 83010236

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate (CID 171505314) is tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate?
The InChIKey is UMBCAAAZHFLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)11(17)15-10-7-8-16(9-10)12(18)19-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate?
tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 171505314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).