tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate

C10H18N4O2 — CID 573085

IUPACtert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cnc(N)[nH]1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-5-4-7-6-13-8(11)14-7/h6H,4-5H2,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyBWWJSWSVMLACIZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.06
Rot. Bonds3

About tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate

tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate (PubChem CID 573085) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate
PubChem CID573085
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cnc(N)[nH]1
InChIInChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-5-4-7-6-13-8(11)14-7/h6H,4-5H2,1-3H3,(H,12,15)(H3,11,13,14)
InChIKeyBWWJSWSVMLACIZ-UHFFFAOYSA-N
XLogP1.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate (CID 573085) is tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cnc(N)[nH]1.
What is the InChIKey of tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate?
The InChIKey is BWWJSWSVMLACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-5-4-7-6-13-8(11)14-7/h6H,4-5H2,1-3H3,(H,12,15)(H3,11,13,14).
What are the key properties of tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 573085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).