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

C16H30N2O3 — CID 102613921

IUPACtert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
SMILESCCOC1CC(NC2CCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-20-12-9-11(10-12)17-13-7-6-8-14(13)18-15(19)21-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyWXCUEAKOCGSZKM-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.59
Rot. Bonds5

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

tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate (PubChem CID 102613921) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
PubChem CID102613921
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
SMILESCCOC1CC(NC2CCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-20-12-9-11(10-12)17-13-7-6-8-14(13)18-15(19)21-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyWXCUEAKOCGSZKM-UHFFFAOYSA-N
XLogP2.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
CID 86794453
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate (CID 102613921) is tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate is CCOC1CC(NC2CCCC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate?
The InChIKey is WXCUEAKOCGSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-20-12-9-11(10-12)17-13-7-6-8-14(13)18-15(19)21-16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.59, 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-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 102613921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).