ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate

C8H14N4O2 — CID 165344097

IUPACethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate
SMILESCCOC(=O)NCc1c(N)ncn1C
InChIInChI=1S/C8H14N4O2/c1-3-14-8(13)10-4-6-7(9)11-5-12(6)2/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyZNUQEAOEDXNEPB-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.25
Rot. Bonds3

About ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate

ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate (PubChem CID 165344097) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate
PubChem CID165344097
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate
SMILESCCOC(=O)NCc1c(N)ncn1C
InChIInChI=1S/C8H14N4O2/c1-3-14-8(13)10-4-6-7(9)11-5-12(6)2/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyZNUQEAOEDXNEPB-UHFFFAOYSA-N
XLogP0.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate (CID 165344097) is ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate is CCOC(=O)NCc1c(N)ncn1C.
What is the InChIKey of ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate?
The InChIKey is ZNUQEAOEDXNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-14-8(13)10-4-6-7(9)11-5-12(6)2/h5H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate?
ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate has a molecular weight of 198.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate is sourced from PubChem (CID 165344097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).