tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate

C14H24N2O3 — CID 75994018

IUPACtert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-7-8-16(9-11)12(17)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyJLULMRXPOJJYGH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 75994018) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
PubChem CID75994018
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-7-8-16(9-11)12(17)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyJLULMRXPOJJYGH-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylic acid
CID 129278997
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
tert-butyl N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 76614972
tert-butyl N-[1-[(E)-N'-hydroxycarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 89317609
tert-butyl N-[(3R)-1-(3-chloropropanoyl)pyrrolidin-3-yl]carbamate
CID 170409265
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate (CID 75994018) is tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is JLULMRXPOJJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-7-8-16(9-11)12(17)10-5-4-6-10/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 75994018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).