tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate

C14H26N2O3 — CID 107255401

IUPACtert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CC1
InChIInChI=1S/C14H26N2O3/c1-5-18-11-8-10(12(11)15-9-6-7-9)16-13(17)19-14(2,3)4/h9-12,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyPKGBUWIBIUWHMV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate

tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate (PubChem CID 107255401) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
PubChem CID107255401
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC1CC1
InChIInChI=1S/C14H26N2O3/c1-5-18-11-8-10(12(11)15-9-6-7-9)16-13(17)19-14(2,3)4/h9-12,15H,5-8H2,1-4H3,(H,16,17)
InChIKeyPKGBUWIBIUWHMV-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-ethoxy-2-[(1-oxothian-4-yl)amino]cyclobutyl]carbamate
CID 107255309
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-3-ethoxycyclobutyl]carbamate
CID 107255426
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[3-ethoxy-2-(thiolan-3-ylmethylamino)cyclobutyl]carbamate
CID 107255374
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-(2-propoxycyclopropyl)carbamate
CID 174856603
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255274
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255414
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate (CID 107255401) is tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NC1CC1.
What is the InChIKey of tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate?
The InChIKey is PKGBUWIBIUWHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-18-11-8-10(12(11)15-9-6-7-9)16-13(17)19-14(2,3)4/h9-12,15H,5-8H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate?
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate is sourced from PubChem (CID 107255401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).