methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate

C14H19N3O2S — CID 64706063

IUPACmethyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C14H19N3O2S/c1-10(9-14(2,15)13(18)19-3)17-7-6-16-12(17)11-5-4-8-20-11/h4-8,10H,9,15H2,1-3H3
InChIKeyUGOKPXGUYMFGPO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate

methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate (PubChem CID 64706063) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
PubChem CID64706063
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Namemethyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
SMILESCOC(=O)C(C)(N)CC(C)n1ccnc1-c1cccs1
InChIInChI=1S/C14H19N3O2S/c1-10(9-14(2,15)13(18)19-3)17-7-6-16-12(17)11-5-4-8-20-11/h4-8,10H,9,15H2,1-3H3
InChIKeyUGOKPXGUYMFGPO-UHFFFAOYSA-N
XLogP2.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
CID 116621681
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704252
methyl 2-(methylamino)-4-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 55143949
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 113353806
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 114357734
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
CID 62565146
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate (CID 64706063) is methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate is COC(=O)C(C)(N)CC(C)n1ccnc1-c1cccs1.
What is the InChIKey of methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate?
The InChIKey is UGOKPXGUYMFGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(9-14(2,15)13(18)19-3)17-7-6-16-12(17)11-5-4-8-20-11/h4-8,10H,9,15H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate?
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate has a molecular weight of 293.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate is sourced from PubChem (CID 64706063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).