tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate

C15H27N3O2 — CID 169248545

IUPACtert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate
SMILESC=C(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCN1
InChIInChI=1S/C15H27N3O2/c1-10(13-6-5-7-16-13)17-11-8-12(9-11)18-14(19)20-15(2,3)4/h11-13,16-17H,1,5-9H2,2-4H3,(H,18,19)
InChIKeyYOGPXQPRQONNGM-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.90
Rot. Bonds4

About tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate (PubChem CID 169248545) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate
PubChem CID169248545
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate
SMILESC=C(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCN1
InChIInChI=1S/C15H27N3O2/c1-10(13-6-5-7-16-13)17-11-8-12(9-11)18-14(19)20-15(2,3)4/h11-13,16-17H,1,5-9H2,2-4H3,(H,18,19)
InChIKeyYOGPXQPRQONNGM-UHFFFAOYSA-N
XLogP1.90
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (2R)-pyrrolidine-2-carboxylate
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tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate
CID 174380808
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
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tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
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tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate (CID 169248545) is tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate is C=C(NC1CC(NC(=O)OC(C)(C)C)C1)C1CCCN1.
What is the InChIKey of tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate?
The InChIKey is YOGPXQPRQONNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(13-6-5-7-16-13)17-11-8-12(9-11)18-14(19)20-15(2,3)4/h11-13,16-17H,1,5-9H2,2-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate has a molecular weight of 281.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate is sourced from PubChem (CID 169248545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).