tert-butyl N-(4-aminofuran-3-yl)carbamate

C9H14N2O3 — CID 166978029

IUPACtert-butyl N-(4-aminofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cocc1N
InChIInChI=1S/C9H14N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12)
InChIKeyZYGRIZQMMMCMGV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.21
Rot. Bonds1

About tert-butyl N-(4-aminofuran-3-yl)carbamate

tert-butyl N-(4-aminofuran-3-yl)carbamate (PubChem CID 166978029) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is tert-butyl N-(4-aminofuran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminofuran-3-yl)carbamate
PubChem CID166978029
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nametert-butyl N-(4-aminofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cocc1N
InChIInChI=1S/C9H14N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12)
InChIKeyZYGRIZQMMMCMGV-UHFFFAOYSA-N
XLogP2.21
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
Tert-butyl 2-bromofuran-3-ylcarbamate
CID 53420002
N-(2-(trimethylsilyl)-3-furyl)carbamic acid 1,1-dimethylethyl ester
CID 129838064
tert-butyl N-(2-iodofuran-3-yl)carbamate
CID 129986947
methyl N-(furan-3-yl)carbamate
CID 12963185
ethyl N-(furan-3-yl)carbamate
CID 13742101
butyl N-(furan-3-yl)carbamate
CID 17965762
3-N,4-N-dimethylfuran-3,4-diamine
CID 21099945
(4-Aminofuran-3-yl)carbamic acid
CID 66872728
2-methylpropyl N-(furan-3-yl)carbamate
CID 68519904
(4-Methylfuran-3-yl)carbamic acid
CID 69907656
N-[4-(dimethylamino)furan-3-yl]-N-methylacetamide
CID 89778196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminofuran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-aminofuran-3-yl)carbamate (CID 166978029) is tert-butyl N-(4-aminofuran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminofuran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminofuran-3-yl)carbamate is CC(C)(C)OC(=O)Nc1cocc1N.
What is the InChIKey of tert-butyl N-(4-aminofuran-3-yl)carbamate?
The InChIKey is ZYGRIZQMMMCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(4-aminofuran-3-yl)carbamate?
tert-butyl N-(4-aminofuran-3-yl)carbamate has a molecular weight of 198.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminofuran-3-yl)carbamate is sourced from PubChem (CID 166978029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).