tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate

C13H24N2O3 — CID 107238333

IUPACtert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
SMILESCOC1CC(NC2CC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-11-7-10(11)14-8-5-9(6-8)17-4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyYZOBTRZFGYIWID-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.42
Rot. Bonds4

About tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate (PubChem CID 107238333) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
PubChem CID107238333
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
SMILESCOC1CC(NC2CC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-11-7-10(11)14-8-5-9(6-8)17-4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyYZOBTRZFGYIWID-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
CID 107237589
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
CID 107237938
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate (CID 107238333) is tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate is COC1CC(NC2CC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate?
The InChIKey is YZOBTRZFGYIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-11-7-10(11)14-8-5-9(6-8)17-4/h8-11,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.42, 4 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-methoxycyclobutyl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107238333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).