trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide

C9H13N3O — CID 130622379

IUPACtrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H13N3O/c1-6-4-7(6)9(13)12-5-8-10-2-3-11-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m0/s1
InChIKeyURYHFIGHCKFWKX-BQBZGAKWSA-N
MW179.22 g/mol
LogP0.68
Rot. Bonds3

About trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 130622379) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
PubChem CID130622379
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Nametrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H13N3O/c1-6-4-7(6)9(13)12-5-8-10-2-3-11-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m0/s1
InChIKeyURYHFIGHCKFWKX-BQBZGAKWSA-N
XLogP0.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
N-(1H-imidazol-2-ylmethyl)thiolane-2-carboxamide
CID 64531828
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 80591308

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide (CID 130622379) is trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NCc1ncc[nH]1.
What is the InChIKey of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is URYHFIGHCKFWKX-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-7(6)9(13)12-5-8-10-2-3-11-8/h2-3,6-7H,4-5H2,1H3,(H,10,11)(H,12,13)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130622379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).