tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate

C13H22N2O3 — CID 83693340

IUPACtert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CCN)c1ccco1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(16)15-13(4,7-8-14)10-6-5-9-17-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeySVNJBYPJRDZGEW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate

tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate (PubChem CID 83693340) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
PubChem CID83693340
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CCN)c1ccco1
InChIInChI=1S/C13H22N2O3/c1-12(2,3)18-11(16)15-13(4,7-8-14)10-6-5-9-17-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16)
InChIKeySVNJBYPJRDZGEW-UHFFFAOYSA-N
XLogP2.37
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-amino-2-thiophen-2-ylbutan-2-yl)carbamate
CID 83693955
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 69345751
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
2-(furan-2-yl)-2-propan-2-yloxypropan-1-amine
CID 84659220
2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
4-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 23087075
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate (CID 83693340) is tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(CCN)c1ccco1.
What is the InChIKey of tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate?
The InChIKey is SVNJBYPJRDZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2,3)18-11(16)15-13(4,7-8-14)10-6-5-9-17-10/h5-6,9H,7-8,14H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate?
tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate has a molecular weight of 254.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-2-(furan-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 83693340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).