methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate

C14H23N3O2 — CID 107420468

IUPACmethyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC1CCCC1C
InChIInChI=1S/C14H23N3O2/c1-4-11-16-12(14(18)19-3)13(15)17(11)8-10-7-5-6-9(10)2/h9-10H,4-8,15H2,1-3H3
InChIKeyMHBVVFNFANCHEW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds4

About methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate (PubChem CID 107420468) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
PubChem CID107420468
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC1CCCC1C
InChIInChI=1S/C14H23N3O2/c1-4-11-16-12(14(18)19-3)13(15)17(11)8-10-7-5-6-9(10)2/h9-10H,4-8,15H2,1-3H3
InChIKeyMHBVVFNFANCHEW-UHFFFAOYSA-N
XLogP2.25
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-[(4-methylmorpholin-2-yl)methyl]imidazole-4-carboxylate
CID 103545735
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethylimidazole-4-carboxylate
CID 103546304
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 107853736

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate (CID 107420468) is methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CC1CCCC1C.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate?
The InChIKey is MHBVVFNFANCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11-16-12(14(18)19-3)13(15)17(11)8-10-7-5-6-9(10)2/h9-10H,4-8,15H2,1-3H3.
What are the key properties of methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 107420468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).