tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate

C11H19NO3 — CID 119032070

IUPACtert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C=O)CCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-11(8-13)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyIJLNNGPCNJWBMU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate

tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate (PubChem CID 119032070) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
PubChem CID119032070
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(C=O)CCC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-11(8-13)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyIJLNNGPCNJWBMU-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1-formyl-4-methylcyclohexyl)methyl]carbamate;sulfur dioxide
CID 161105071
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
CID 125461960
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
CID 107251928
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[(3-aminothian-3-yl)methyl]carbamate
CID 84803204
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate (CID 119032070) is tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(C=O)CCC1.
What is the InChIKey of tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate?
The InChIKey is IJLNNGPCNJWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-7-11(8-13)5-4-6-11/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate?
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 119032070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).