tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate

C10H17N3O3 — CID 146287930

IUPACtert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
SMILESCn1c(CO)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)12-8-11-5-7(6-14)13(8)4/h5,14H,6H2,1-4H3,(H,11,12,15)
InChIKeyBMYLFDMQNWZYFL-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate

tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate (PubChem CID 146287930) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
PubChem CID146287930
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
SMILESCn1c(CO)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)12-8-11-5-7(6-14)13(8)4/h5,14H,6H2,1-4H3,(H,11,12,15)
InChIKeyBMYLFDMQNWZYFL-UHFFFAOYSA-N
XLogP1.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(hydroxymethyl)pyrimidin-4-yl]carbamate
CID 141329462
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate
CID 140999725
tert-butyl N-[5-acetyl-2-(hydroxymethyl)-3-pyridinyl]carbamate
CID 129224331
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-triazol-1-yl]acetic acid
CID 129117447
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate (CID 146287930) is tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate is Cn1c(CO)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate?
The InChIKey is BMYLFDMQNWZYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)16-9(15)12-8-11-5-7(6-14)13(8)4/h5,14H,6H2,1-4H3,(H,11,12,15).
What are the key properties of tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate?
tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate is sourced from PubChem (CID 146287930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).