N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide

C9H13N3O2 — CID 164659037

IUPACN-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
SMILESCO[C@@]1(C)C[C@H]1NC(=O)n1ccnc1
InChIInChI=1S/C9H13N3O2/c1-9(14-2)5-7(9)11-8(13)12-4-3-10-6-12/h3-4,6-7H,5H2,1-2H3,(H,11,13)/t7-,9+/m1/s1
InChIKeyZMXHWADKYWXEDJ-APPZFPTMSA-N
MW195.22 g/mol
LogP0.62
Rot. Bonds2

About N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide

N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide (PubChem CID 164659037) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
PubChem CID164659037
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
SMILESCO[C@@]1(C)C[C@H]1NC(=O)n1ccnc1
InChIInChI=1S/C9H13N3O2/c1-9(14-2)5-7(9)11-8(13)12-4-3-10-6-12/h3-4,6-7H,5H2,1-2H3,(H,11,13)/t7-,9+/m1/s1
InChIKeyZMXHWADKYWXEDJ-APPZFPTMSA-N
XLogP0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylcyclobutyl)imidazole-1-carboxamide
CID 131092030
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
CID 81257647
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
CID 81257423
N-(3-bicyclo[3.1.0]hexanyl)imidazole-1-carboxamide
CID 130898986
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide
CID 39871263
N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
CID 130921417
N-(2-methylcyclohexyl)imidazole-1-carboxamide
CID 43145409
trans-methyl (1R,2S)-2-ethenyl-1-(imidazole-1-carbonylamino)cyclopropane-1-carboxylate
CID 66742386
N-ethoxyimidazole-1-carboxamide
CID 71385822
4-imidazol-1-yl-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
CID 97021838
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
CID 81257900

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide (CID 164659037) is N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide is CO[C@@]1(C)C[C@H]1NC(=O)n1ccnc1.
What is the InChIKey of N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide?
The InChIKey is ZMXHWADKYWXEDJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(14-2)5-7(9)11-8(13)12-4-3-10-6-12/h3-4,6-7H,5H2,1-2H3,(H,11,13)/t7-,9+/m1/s1.
What are the key properties of N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide?
N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide is sourced from PubChem (CID 164659037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).