2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide

C12H20N4O — CID 63921658

IUPAC2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CC(N)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4O/c1-8(2)10-15-5-6-16(10)7-12(14,11(13)17)9-3-4-9/h5-6,8-9H,3-4,7,14H2,1-2H3,(H2,13,17)
InChIKeyFQKKZSCUQSHOMA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide

2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 63921658) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID63921658
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CC(N)(C(N)=O)C1CC1
InChIInChI=1S/C12H20N4O/c1-8(2)10-15-5-6-16(10)7-12(14,11(13)17)9-3-4-9/h5-6,8-9H,3-4,7,14H2,1-2H3,(H2,13,17)
InChIKeyFQKKZSCUQSHOMA-UHFFFAOYSA-N
XLogP0.60
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
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-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 63921658) is 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CC(N)(C(N)=O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is FQKKZSCUQSHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)10-15-5-6-16(10)7-12(14,11(13)17)9-3-4-9/h5-6,8-9H,3-4,7,14H2,1-2H3,(H2,13,17).
What are the key properties of 2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide?
2-amino-2-cyclopropyl-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.60, 5 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-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 63921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).