2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide

C12H19N3O — CID 79100666

IUPAC2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H19N3O/c1-8-4-5-9(2)15(8)14-11(16)12(3,13)10-6-7-10/h4-5,10H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyPQCXEHYFJFEHIC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide

2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide (PubChem CID 79100666) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide
PubChem CID79100666
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H19N3O/c1-8-4-5-9(2)15(8)14-11(16)12(3,13)10-6-7-10/h4-5,10H,6-7,13H2,1-3H3,(H,14,16)
InChIKeyPQCXEHYFJFEHIC-UHFFFAOYSA-N
XLogP1.30
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide (CID 79100666) is 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide is Cc1ccc(C)n1NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The InChIKey is PQCXEHYFJFEHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-9(2)15(8)14-11(16)12(3,13)10-6-7-10/h4-5,10H,6-7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide?
2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(2,5-dimethylpyrrol-1-yl)propanamide is sourced from PubChem (CID 79100666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).