ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate

C10H16N2O2 — CID 166520574

IUPACethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn([C@H](C)CC)cn1
InChIInChI=1S/C10H16N2O2/c1-4-8(3)12-6-9(11-7-12)10(13)14-5-2/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyQYMBHDBEQUADMC-MRVPVSSYSA-N
MW196.25 g/mol
LogP2.03
Rot. Bonds4

About ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate

ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate (PubChem CID 166520574) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
PubChem CID166520574
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn([C@H](C)CC)cn1
InChIInChI=1S/C10H16N2O2/c1-4-8(3)12-6-9(11-7-12)10(13)14-5-2/h6-8H,4-5H2,1-3H3/t8-/m1/s1
InChIKeyQYMBHDBEQUADMC-MRVPVSSYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2R)-1-fluoropropan-2-yl]imidazole-4-carboxylate
CID 155578659
ethyl 1-(1-cyclohexylethyl)imidazole-4-carboxylate
CID 114203724
ethyl 1-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxopentan-3-yl]imidazole-4-carboxylate
CID 86595162
ethyl 1-(1-propan-2-ylpyrazol-4-yl)imidazole-4-carboxylate
CID 114203723
ethyl 2-propan-2-yltriazole-4-carboxylate
CID 58356328
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 114203687
ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate
CID 114203722
[1-[(2S)-butan-2-yl]imidazol-4-yl]-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 166838345
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
ethyl 1-(2-fluorophenyl)imidazole-4-carboxylate
CID 154325147
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate (CID 166520574) is ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate is CCOC(=O)c1cn([C@H](C)CC)cn1.
What is the InChIKey of ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate?
The InChIKey is QYMBHDBEQUADMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-8(3)12-6-9(11-7-12)10(13)14-5-2/h6-8H,4-5H2,1-3H3/t8-/m1/s1.
What are the key properties of ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate?
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate is sourced from PubChem (CID 166520574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).