methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H17N3O4 — CID 149222122

IUPACmethyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)c1cnc[nH]1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(16)14-8(9(15)17-4)7-5-12-6-13-7/h5-6,8H,1-4H3,(H,12,13)(H,14,16)
InChIKeyXIQUJFXHCCXTCK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 149222122) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID149222122
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)c1cnc[nH]1
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(16)14-8(9(15)17-4)7-5-12-6-13-7/h5-6,8H,1-4H3,(H,12,13)(H,14,16)
InChIKeyXIQUJFXHCCXTCK-UHFFFAOYSA-N
XLogP1.15
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
methyl 3-(1H-imidazol-5-yl)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 118896971
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 91978535
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoate
CID 94864160
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
tert-butyl N-[4-[[2-hydroxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-methyl-4-oxobutan-2-yl]carbamate
CID 136559509
tert-butyl N-[2-[5-(2-amino-6-chloroquinazolin-4-yl)-2-chloroanilino]-1-(1H-imidazol-5-yl)-2-oxoethyl]carbamate;methane
CID 157077346
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727
2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 149222122) is methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)c1cnc[nH]1.
What is the InChIKey of methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is XIQUJFXHCCXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)18-10(16)14-8(9(15)17-4)7-5-12-6-13-7/h5-6,8H,1-4H3,(H,12,13)(H,14,16).
What are the key properties of methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 255.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 149222122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).