methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate

C11H17N3O2 — CID 165490276

IUPACmethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)Cn1ccnc1C1CC1
InChIInChI=1S/C11H17N3O2/c1-11(12,10(15)16-2)7-14-6-5-13-9(14)8-3-4-8/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyRUPIEKNSCANSST-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.65
Rot. Bonds4

About methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate

methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate (PubChem CID 165490276) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate
PubChem CID165490276
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)Cn1ccnc1C1CC1
InChIInChI=1S/C11H17N3O2/c1-11(12,10(15)16-2)7-14-6-5-13-9(14)8-3-4-8/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyRUPIEKNSCANSST-UHFFFAOYSA-N
XLogP0.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate (CID 165490276) is methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate is COC(=O)C(C)(N)Cn1ccnc1C1CC1.
What is the InChIKey of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate?
The InChIKey is RUPIEKNSCANSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(12,10(15)16-2)7-14-6-5-13-9(14)8-3-4-8/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate?
methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate has a molecular weight of 223.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-cyclopropylimidazol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 165490276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).