methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate

C12H19N3O2 — CID 66140237

IUPACmethyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1cncn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(2)14-11(12(16)17-3)10-6-13-7-15(10)9-4-5-9/h6-9,11,14H,4-5H2,1-3H3
InChIKeyYZPJLGDJIAMPQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds5

About methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate

methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate (PubChem CID 66140237) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
PubChem CID66140237
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1cncn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(2)14-11(12(16)17-3)10-6-13-7-15(10)9-4-5-9/h6-9,11,14H,4-5H2,1-3H3
InChIKeyYZPJLGDJIAMPQD-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate (CID 66140237) is methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate is COC(=O)C(NC(C)C)c1cncn1C1CC1.
What is the InChIKey of methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is YZPJLGDJIAMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)14-11(12(16)17-3)10-6-13-7-15(10)9-4-5-9/h6-9,11,14H,4-5H2,1-3H3.
What are the key properties of methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate?
methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopropylimidazol-4-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 66140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).