2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide

C11H18N4O — CID 63918935

IUPAC2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(CC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)15(6-14-7)5-11(13,10(12)16)9-3-4-9/h6,9H,3-5,13H2,1-2H3,(H2,12,16)
InChIKeyXWZSFBZMKRWHGM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.09
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide

2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide (PubChem CID 63918935) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
PubChem CID63918935
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(CC(N)(C(N)=O)C2CC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)15(6-14-7)5-11(13,10(12)16)9-3-4-9/h6,9H,3-5,13H2,1-2H3,(H2,12,16)
InChIKeyXWZSFBZMKRWHGM-UHFFFAOYSA-N
XLogP0.09
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide (CID 63918935) is 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide is Cc1ncn(CC(N)(C(N)=O)C2CC2)c1C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide?
The InChIKey is XWZSFBZMKRWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)15(6-14-7)5-11(13,10(12)16)9-3-4-9/h6,9H,3-5,13H2,1-2H3,(H2,12,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide?
2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide is sourced from PubChem (CID 63918935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).