methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate

C8H13N3O2 — CID 102970145

IUPACmethyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate
SMILESCOC(=O)[C@@H](N)c1nc(C)c(C)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4-5(2)11-7(10-4)6(9)8(12)13-3/h6H,9H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyHTVXESNOAYMTHI-LURJTMIESA-N
MW183.21 g/mol
LogP0.20
Rot. Bonds2

About methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate

methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate (PubChem CID 102970145) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate
PubChem CID102970145
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate
SMILESCOC(=O)[C@@H](N)c1nc(C)c(C)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4-5(2)11-7(10-4)6(9)8(12)13-3/h6H,9H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyHTVXESNOAYMTHI-LURJTMIESA-N
XLogP0.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(4-ethyl-5-methyl-1H-imidazol-2-yl)acetate
CID 102970303
methyl (2S)-2-(4-chloro-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-hydroxyacetate
CID 86732585
methyl 2-(4-chloro-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-hydroxyacetate
CID 86732582
2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol
CID 82407032
methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
CID 131497707
methyl (2S)-2-amino-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]acetate
CID 102970456
methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
CID 171232982
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate (CID 102970145) is methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate is COC(=O)[C@@H](N)c1nc(C)c(C)[nH]1.
What is the InChIKey of methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate?
The InChIKey is HTVXESNOAYMTHI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-5(2)11-7(10-4)6(9)8(12)13-3/h6H,9H2,1-3H3,(H,10,11)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate?
methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate has a molecular weight of 183.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(4,5-dimethyl-1H-imidazol-2-yl)acetate is sourced from PubChem (CID 102970145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).