methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate

C11H17N3O3 — CID 3006279

IUPACmethyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)10-13-5-7(14-10)9(16)12-6-8(15)17-4/h5H,6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyYLVADNQYWHBBMT-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.61
Rot. Bonds3

About methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate

methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate (PubChem CID 3006279) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate
PubChem CID3006279
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)10-13-5-7(14-10)9(16)12-6-8(15)17-4/h5H,6H2,1-4H3,(H,12,16)(H,13,14)
InChIKeyYLVADNQYWHBBMT-UHFFFAOYSA-N
XLogP0.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate 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

5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
methyl 2-methyl-1H-imidazole-4-carboxylate
CID 13432302
N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 65940567
N-(1-Methylethyl)-1H-imidazole-5-carboxamide
CID 18976076
ethyl 2-tert-butyl-1H-imidazole-4-carboxylate
CID 3006268
1H-Imidazole-2,4-dicarboxamide
CID 1382218
N-ethyl-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-1H-imidazole-5-carboxamide
CID 91772591
N-[trans-1-isopropyl-4-methoxypyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 91829273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate (CID 3006279) is methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc(C(C)(C)C)[nH]1.
What is the InChIKey of methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate?
The InChIKey is YLVADNQYWHBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)10-13-5-7(14-10)9(16)12-6-8(15)17-4/h5H,6H2,1-4H3,(H,12,16)(H,13,14).
What are the key properties of methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate?
methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-tert-butyl-1H-imidazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 3006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).